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

Systemtic Name: 2-azanyl-N-methyl-N-[2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide Openeye Name: 2-amino-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-amino-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanylpropanamide Traditional Name: 2-amino-N-[2-keto-1-(2-ketoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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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)C(CS)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-24(20(27)16(22)13-29)19-21(28)25(11-12-26)17-10-6-5-9-15(17)18(23-19)14-7-3-2-4-8-14/h2-10,12,16,19,29H,11,13,22H2,1H3