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

Systemtic Name: 2-azanyl-N-[2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 2-amino-3-mercapto-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-amino-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-propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC=O)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC=O)NC(=O)C(CS)N

InChI

InChI=1S/C20H20N4O3S/c21-15(12-28)19(26)23-18-20(27)24(10-11-25)16-9-5-4-8-14(16)17(22-18)13-6-2-1-3-7-13/h1-9,11,15,18,28H,10,12,21H2,(H,23,26)