4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[3-[(2-dimethylaminoethylamino)methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[3-[(2-dimethylaminoethylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[3-[(2-dimethylaminoethylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[3-[(2-dimethylaminoethylamino)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[3-[(2-dimethylaminoethylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[3-[(2-dimethylaminoethylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C33H30ClN5S MolecularWeight: 564.1428

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCC1=CC=CC(=C1)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)SC5=CC=CC=C5)Cl)C#N

Isomeric SMILES

CN(C)CCNCC1=CC=CC(=C1)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)SC5=CC=CC=C5)Cl)C#N

InChI

InChI=1S/C33H30ClN5S/c1-39(2)16-15-36-21-23-7-6-8-24(17-23)25-11-13-29-31(18-25)37-22-26(20-35)33(29)38-27-12-14-32(30(34)19-27)40-28-9-4-3-5-10-28/h3-14,17-19,22,36H,15-16,21H2,1-2H3,(H,37,38)