N-[2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-(propanoylamino)-3-[2-(C-thiomorpholin-4-ylcarbonimidoyl)phenyl]propanamide

Systemtic Name: N-[2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-(propanoylamino)-3-[2-(C-thiomorpholin-4-ylcarbonimidoyl)phenyl]propanamide Openeye Name: N-[2-[[1-(1H-indol-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]amino]-2-oxo-ethyl]-2-(propanoylamino)-3-[2-(thiomorpholine-4-carboximidoyl)phenyl]propanamide CAS Name: 3-[2-[imino(thiomorpholin-4-yl)methyl]phenyl]-N-[2-[[3-(1H-indol-3-yl)-1-oxo-1-(2-thiazolyl)propan-2-yl]amino]-2-oxoethyl]-2-(1-oxopropylamino)propanamide IUPAC Name: N-[2-[[3-(1H-indol-3-yl)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-2-oxoethyl]-2-(propanoylamino)-3-[2-(thiomorpholine-4-carboximidoyl)phenyl]propanamide Traditional Name: N-[2-[[1-(1H-indol-3-ylmethyl)-2-keto-2-thiazol-2-yl-ethyl]amino]-2-keto-ethyl]-2-propionamido-3-[2-(thiomorpholine-4-carboximidoyl)phenyl]propionamide Formula: C33H37N7O4S2 MolecularWeight: 659.82138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CC=CC=C1C(=N)N2CCSCC2)C(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)C5=NC=CS5

Isomeric SMILES

CCC(=O)NC(CC1=CC=CC=C1C(=N)N2CCSCC2)C(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)C5=NC=CS5

InChI

InChI=1S/C33H37N7O4S2/c1-2-28(41)39-27(17-21-7-3-4-9-24(21)31(34)40-12-15-45-16-13-40)32(44)37-20-29(42)38-26(30(43)33-35-11-14-46-33)18-22-19-36-25-10-6-5-8-23(22)25/h3-11,14,19,26-27,34,36H,2,12-13,15-18,20H2,1H3,(H,37,44)(H,38,42)(H,39,41)