(2S)-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydroindole-1-carbothioamide

Systemtic Name: (2S)-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydroindole-1-carbothioamide Openeye Name: (2S)-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)indoline-1-carbothioamide CAS Name: (2S)-2-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydroindole-1-carbothioamide IUPAC Name: (2S)-2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydroindole-1-carbothioamide Traditional Name: (2S)-2-methyl-N-(4-pyrrolidinosulfonylphenyl)indoline-1-carbothioamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H23N3O2S2/c1-15-14-16-6-2-3-7-19(16)23(15)20(26)21-17-8-10-18(11-9-17)27(24,25)22-12-4-5-13-22/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,21,26)/t15-/m0/s1