N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclohexyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H29N3O4S2 MolecularWeight: 427.58126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CCCCC3)OC

InChI

InChI=1S/C19H29N3O4S2/c1-25-17-9-8-16(14-18(17)26-2)28(23,24)22-12-10-21(11-13-22)19(27)20-15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,20,27)