4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[4-(piperidin-1-ylmethyl)phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[4-(piperidin-1-ylmethyl)phenyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[4-(1-piperidylmethyl)phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[4-(1-piperidinylmethyl)phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[4-(piperidin-1-ylmethyl)phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[4-(piperidinomethyl)phenyl]quinoline-3-carbonitrile Formula: C32H29ClN6S MolecularWeight: 565.13086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(C=C5)CN6CCCCC6)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(C=C5)CN6CCCCC6)Cl

InChI

InChI=1S/C32H29ClN6S/c1-38-16-13-35-32(38)40-30-12-10-26(18-28(30)33)37-31-25(19-34)20-36-29-17-24(9-11-27(29)31)23-7-5-22(6-8-23)21-39-14-3-2-4-15-39/h5-13,16-18,20H,2-4,14-15,21H2,1H3,(H,36,37)