4-(4-butan-2-ylphenyl)sulfonyl-N-cyclopropyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-cyclopropyl-piperazine-1-carbothioamide Openeye Name: N-cyclopropyl-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-cyclopropyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: N-cyclopropyl-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C18H27N3O2S2/c1-3-14(2)15-4-8-17(9-5-15)25(22,23)21-12-10-20(11-13-21)18(24)19-16-6-7-16/h4-5,8-9,14,16H,3,6-7,10-13H2,1-2H3,(H,19,24)