(2S)-N-methyl-N-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-methyl-N-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-N-methyl-2-(phenylthio)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-15-13-20(26)23-18-11-7-8-12-19(18)25(15)21(27)14-24(3)22(28)16(2)29-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t15-,16-/m0/s1