N-methyl-N-[2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide Openeye Name: N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 3-mercapto-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanylpropanamide Traditional Name: N-[2-keto-1-(2-ketoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC=O)C(=O)CCS

Isomeric SMILES

CN(C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC=O)C(=O)CCS

InChI

InChI=1S/C21H21N3O3S/c1-23(18(26)11-14-28)20-21(27)24(12-13-25)17-10-6-5-9-16(17)19(22-20)15-7-3-2-4-8-15/h2-10,13,20,28H,11-12,14H2,1H3