4-(4-methoxyphenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H29N3O3S2/c1-15-5-3-4-6-18(15)20-19(26)21-11-13-22(14-12-21)27(23,24)17-9-7-16(25-2)8-10-17/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,20,26)/t15-,18-/m0/s1