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

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O4S2/c1-4-5-6-18-7-10-20(11-8-18)32(27,28)26-15-13-25(14-16-26)23(31)24-19-9-12-21(29-2)22(17-19)30-3/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,31)