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

Systemtic Name: N-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-phenethyl-piperazine-1-carbothioamide Openeye Name: N-[4-(2-methylindolin-1-yl)sulfonylphenyl]-4-phenethyl-piperazine-1-carbothioamide CAS Name: N-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-phenethyl-1-piperazinecarbothioamide IUPAC Name: N-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-4-phenethylpiperazine-1-carbothioamide Traditional Name: N-[4-(2-methylindolin-1-yl)sulfonylphenyl]-4-phenethyl-piperazine-1-carbothioamide Formula: C28H32N4O2S2 MolecularWeight: 520.70928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=S)N4CCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=S)N4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O2S2/c1-22-21-24-9-5-6-10-27(24)32(22)36(33,34)26-13-11-25(12-14-26)29-28(35)31-19-17-30(18-20-31)16-15-23-7-3-2-4-8-23/h2-14,22H,15-21H2,1H3,(H,29,35)