11-[2-(4-methylpiperazin-1-yl)ethanoyl]-8-methylsulfanyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[2-(4-methylpiperazin-1-yl)ethanoyl]-8-methylsulfanyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-8-methylsulfanyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-8-(methylthio)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-8-methylsulfanyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[2-(4-methylpiperazino)acetyl]-8-(methylthio)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)SC)C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)SC)C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C20H23N5O2S/c1-23-8-10-24(11-9-23)13-18(26)25-17-6-5-14(28-2)12-15(17)20(27)22-16-4-3-7-21-19(16)25/h3-7,12H,8-11,13H2,1-2H3,(H,22,27)