(2S)-N-[(3R)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-phenyl-2-(phenylcarbamothioylamino)propanamide

Systemtic Name: (2S)-N-[(3R)-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-phenyl-2-(phenylcarbamothioylamino)propanamide Openeye Name: (2S)-N-[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-phenyl-2-(phenylcarbamothioylamino)propanamide CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-N-[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-phenylpropanamide IUPAC Name: (2S)-N-[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-phenyl-2-(phenylcarbamothioylamino)propanamide Traditional Name: (2S)-N-[(3R)-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-phenyl-2-(phenylthiocarbamoylamino)propionamide Formula: C31H27N5O2S MolecularWeight: 533.64338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H]2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C31H27N5O2S/c37-29(26(20-21-12-4-1-5-13-21)34-31(39)32-23-16-8-3-9-17-23)36-28-30(38)33-25-19-11-10-18-24(25)27(35-28)22-14-6-2-7-15-22/h1-19,26,28H,20H2,(H,33,38)(H,36,37)(H2,32,34,39)/t26-,28-/m0/s1