4-(3,5-dimethylpiperazin-1-yl)-6-(4-phenoxyphenyl)sulfanyl-quinoline hydrochloride

Systemtic Name: 4-(3,5-dimethylpiperazin-1-yl)-6-(4-phenoxyphenyl)sulfanyl-quinoline hydrochloride Openeye Name: 4-(3,5-dimethylpiperazin-1-yl)-6-(4-phenoxyphenyl)sulfanyl-quinoline hydrochloride CAS Name: 4-(3,5-dimethyl-1-piperazinyl)-6-[(4-phenoxyphenyl)thio]quinoline hydrochloride IUPAC Name: 4-(3,5-dimethylpiperazin-1-yl)-6-(4-phenoxyphenyl)sulfanylquinoline hydrochloride Traditional Name: 4-(3,5-dimethylpiperazino)-6-[(4-phenoxyphenyl)thio]quinoline hydrochloride Formula: C27H28ClN3OS MolecularWeight: 478.04872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C3C=C(C=CC3=NC=C2)SC4=CC=C(C=C4)OC5=CC=CC=C5.Cl

Isomeric SMILES

CC1CN(CC(N1)C)C2=C3C=C(C=CC3=NC=C2)SC4=CC=C(C=C4)OC5=CC=CC=C5.Cl

InChI

InChI=1S/C27H27N3OS.ClH/c1-19-17-30(18-20(2)29-19)27-14-15-28-26-13-12-24(16-25(26)27)32-23-10-8-22(9-11-23)31-21-6-4-3-5-7-21;/h3-16,19-20,29H,17-18H2,1-2H3;1H