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

Systemtic Name: 2-(4-methylpiperazin-1-yl)-1-(6-sulfanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanone Openeye Name: 2-(4-methylpiperazin-1-yl)-1-(6-thioxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanone CAS Name: 2-(4-methyl-1-piperazinyl)-1-(6-sulfanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanone IUPAC Name: 2-(4-methylpiperazin-1-yl)-1-(6-sulfanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanone Traditional Name: 2-(4-methylpiperazino)-1-(6-thioxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanone Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=S)NC4=C2N=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=S)NC4=C2N=CC=C4

InChI

InChI=1S/C19H21N5OS/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)