(2S)-3-phenyl-N-(4-phenylbutyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide

Systemtic Name: (2S)-3-phenyl-N-(4-phenylbutyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Openeye Name: (2S)-3-phenyl-N-(4-phenylbutyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide CAS Name: (2S)-2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenyl-N-(4-phenylbutyl)propanamide IUPAC Name: (2S)-3-phenyl-N-(4-phenylbutyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide Traditional Name: (2S)-3-phenyl-N-(4-phenylbutyl)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)NC3=NNC(=S)S3

InChI

InChI=1S/C22H25N5O2S2/c28-19(23-14-8-7-11-16-9-3-1-4-10-16)18(15-17-12-5-2-6-13-17)24-20(29)25-21-26-27-22(30)31-21/h1-6,9-10,12-13,18H,7-8,11,14-15H2,(H,23,28)(H,27,30)(H2,24,25,26,29)/t18-/m0/s1