4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[3-[(3-morpholinopropylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[3-[[3-(4-morpholinyl)propylamino]methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[3-[(3-morpholin-4-ylpropylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[3-[(3-morpholinopropylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C34H34ClN7OS MolecularWeight: 624.19806

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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(=CC=C5)CNCCCN6CCOCC6)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC(=CC=C5)CNCCCN6CCOCC6)Cl

InChI

InChI=1S/C34H34ClN7OS/c1-41-13-11-38-34(41)44-32-9-7-28(20-30(32)35)40-33-27(21-36)23-39-31-19-26(6-8-29(31)33)25-5-2-4-24(18-25)22-37-10-3-12-42-14-16-43-17-15-42/h2,4-9,11,13,18-20,23,37H,3,10,12,14-17,22H2,1H3,(H,39,40)