4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-ethylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-ethylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-ethyl-1-piperazinyl)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-ethylpiperazino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C33H30ClN5S2 MolecularWeight: 596.2078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

CCN1CCN(CC1)CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C33H30ClN5S2/c1-2-38-12-14-39(15-13-38)21-28-16-24(22-40-28)23-8-10-29-31(17-23)36-20-25(19-35)33(29)37-26-9-11-32(30(34)18-26)41-27-6-4-3-5-7-27/h3-11,16-18,20,22H,2,12-15,21H2,1H3,(H,36,37)