N-cyclopentyl-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclopentyl-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-cyclopentyl-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclopentyl-4-(3,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclopentyl-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CCCC3)C

InChI

InChI=1S/C18H27N3O2S2/c1-14-7-8-17(13-15(14)2)25(22,23)21-11-9-20(10-12-21)18(24)19-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3,(H,19,24)