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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-3,4-dihydro-1H-isoquinoline-2-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)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCC4=CC=CC=C4C3)C

InChI

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