2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]-N-methyl-acetamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O3S2/c1-14-11-19(27)23-15-7-3-5-9-17(15)26(14)20(28)12-25(2)21(29)13-30-22-24-16-8-4-6-10-18(16)31-22/h3-10,14H,11-13H2,1-2H3,(H,23,27)