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

Systemtic Name: 2-azanyl-N-methyl-N-[2-oxidanylidene-1-(1-oxidanylidenepropan-2-yl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide Openeye Name: 2-amino-N-methyl-N-[1-(1-methyl-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-methyl-N-[2-oxo-1-(1-oxopropan-2-yl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-amino-N-methyl-N-[2-oxo-1-(1-oxopropan-2-yl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanylpropanamide Traditional Name: 2-amino-N-[2-keto-1-(2-keto-1-methyl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)N1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

Isomeric SMILES

CC(C=O)N1C2=CC=CC=C2C(=NC(C1=O)N(C)C(=O)C(CS)N)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-14(12-27)26-18-11-7-6-10-16(18)19(15-8-4-3-5-9-15)24-20(22(26)29)25(2)21(28)17(23)13-30/h3-12,14,17,20,30H,13,23H2,1-2H3