7-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-oxidanylidene-thieno[3,2-b]pyridine-6-carbonitrile

Systemtic Name: 7-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-oxidanylidene-thieno[3,2-b]pyridine-6-carbonitrile Openeye Name: 7-(2,4-dichloro-5-methoxy-anilino)-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-oxo-thieno[3,2-b]pyridine-6-carbonitrile CAS Name: 7-(2,4-dichloro-5-methoxyanilino)-2-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-1-oxo-6-thieno[3,2-b]pyridinecarbonitrile IUPAC Name: 7-(2,4-dichloro-5-methoxyanilino)-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-oxothieno[3,2-b]pyridine-6-carbonitrile Traditional Name: 7-(2,4-dichloro-5-methoxy-anilino)-1-keto-2-[4-[(4-methylpiperazino)methyl]phenyl]thieno[3,2-b]pyridine-6-carbonitrile Formula: C27H25Cl2N5O2S MolecularWeight: 554.4907

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4S3=O)NC5=CC(=C(C=C5Cl)Cl)OC)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4S3=O)NC5=CC(=C(C=C5Cl)Cl)OC)C#N

InChI

InChI=1S/C27H25Cl2N5O2S/c1-33-7-9-34(10-8-33)16-17-3-5-18(6-4-17)25-13-23-27(37(25)35)26(19(14-30)15-31-23)32-22-12-24(36-2)21(29)11-20(22)28/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)