4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-ethyl-1-piperazinyl)methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(4-ethylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-ethylpiperazino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C33H30ClN5OS MolecularWeight: 580.1422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(O2)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=C(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C33H30ClN5OS/c1-2-38-14-16-39(17-15-38)22-26-10-12-31(40-26)23-8-11-28-30(18-23)36-21-24(20-35)33(28)37-25-9-13-32(29(34)19-25)41-27-6-4-3-5-7-27/h3-13,18-19,21H,2,14-17,22H2,1H3,(H,36,37)