4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[5-(1-piperidylmethyl)-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[5-(1-piperidinylmethyl)-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[5-(piperidinomethyl)-2-thienyl]quinoline-3-carbonitrile Formula: C30H27ClN6S2 MolecularWeight: 571.15858

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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(S5)CN6CCCCC6)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(S5)CN6CCCCC6)Cl

InChI

InChI=1S/C30H27ClN6S2/c1-36-14-11-33-30(36)39-28-9-6-22(16-25(28)31)35-29-21(17-32)18-34-26-15-20(5-8-24(26)29)27-10-7-23(38-27)19-37-12-3-2-4-13-37/h5-11,14-16,18H,2-4,12-13,19H2,1H3,(H,34,35)