4-(2-azanyl-1,3-thiazol-4-yl)-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]ethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-(2-azanyl-1,3-thiazol-4-yl)-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]ethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-(2-aminothiazol-4-yl)-N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 4-(2-amino-4-thiazolyl)-N-[2-oxo-2-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]ethyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)-N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-(2-aminothiazol-4-yl)-N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-keto-ethyl]-N-(4-pyridylmethyl)benzamide Formula: C33H31N5O2S MolecularWeight: 561.69654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CN(CC3=CC=NC=C3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CN(CC3=CC=NC=C3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N

InChI

InChI=1S/C33H31N5O2S/c1-24(27-10-6-3-7-11-27)38(21-25-8-4-2-5-9-25)31(39)22-37(20-26-16-18-35-19-17-26)32(40)29-14-12-28(13-15-29)30-23-41-33(34)36-30/h2-19,23-24H,20-22H2,1H3,(H2,34,36)/t24-/m0/s1