N-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(phenylmethyl)piperidine-1-carbothioamide

Systemtic Name: N-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-[4-(2-methylindolin-1-yl)sulfonylphenyl]piperidine-1-carbothioamide CAS Name: N-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-[4-(2-methylindolin-1-yl)sulfonylphenyl]piperidine-1-carbothioamide Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=S)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=S)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2S2/c1-21-19-24-9-5-6-10-27(24)31(21)35(32,33)26-13-11-25(12-14-26)29-28(34)30-17-15-23(16-18-30)20-22-7-3-2-4-8-22/h2-14,21,23H,15-20H2,1H3,(H,29,34)