1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-(8,9-dimethyl-5-thioxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-(4-methylpiperazin-1-yl)ethanone CAS Name: 1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-(4-methylpiperazin-1-yl)ethanone Traditional Name: 1-(8,9-dimethyl-5-thioxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-(4-methylpiperazino)ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=C(C=CC=N3)C(=S)N2)C(=O)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=C(C=CC=N3)C(=S)N2)C(=O)CN4CCN(CC4)C

InChI

InChI=1S/C21H25N5OS/c1-14-11-17-18(12-15(14)2)26(19(27)13-25-9-7-24(3)8-10-25)20-16(21(28)23-17)5-4-6-22-20/h4-6,11-12H,7-10,13H2,1-3H3,(H,23,28)