N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]benzothiophene-2-carboxamide CAS Name: N-[2-methyl-3-[1-methyl-5-[[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[6-keto-1-methyl-5-[[5-(4-methylpiperazino)-2-pyridyl]amino]-3-pyridyl]-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C32H32N6O2S MolecularWeight: 564.70048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=CC=CC=C3S2)C4=CN(C(=O)C(=C4)NC5=NC=C(C=C5)N6CCN(CC6)C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=CC=CC=C3S2)C4=CN(C(=O)C(=C4)NC5=NC=C(C=C5)N6CCN(CC6)C)C

InChI

InChI=1S/C32H32N6O2S/c1-21-25(8-6-9-26(21)35-31(39)29-18-22-7-4-5-10-28(22)41-29)23-17-27(32(40)37(3)20-23)34-30-12-11-24(19-33-30)38-15-13-36(2)14-16-38/h4-12,17-20H,13-16H2,1-3H3,(H,33,34)(H,35,39)