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

Systemtic Name: 2-(ethylamino)-N-methyl-N-[2-oxidanylidene-1-(2-oxidanylideneethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide Openeye Name: 2-(ethylamino)-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanyl-propanamide CAS Name: 2-(ethylamino)-3-mercapto-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-(ethylamino)-N-methyl-N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-sulfanylpropanamide Traditional Name: 2-(ethylamino)-N-[2-keto-1-(2-ketoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-3-24-18(15-31)22(29)26(2)21-23(30)27(13-14-28)19-12-8-7-11-17(19)20(25-21)16-9-5-4-6-10-16/h4-12,14,18,21,24,31H,3,13,15H2,1-2H3