N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCC4=CC=CC=C43)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCC4=CC=CC=C43)C

InChI

InChI=1S/C23H29N3O2S2/c1-17-7-5-8-18(2)26(17)30(27,28)21-14-12-20(13-15-21)24-23(29)25-16-6-10-19-9-3-4-11-22(19)25/h3-4,9,11-15,17-18H,5-8,10,16H2,1-2H3,(H,24,29)