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

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25N3O4S2/c1-26-18-9-8-17(14-19(18)27-2)29(24,25)23-12-10-22(11-13-23)20(28)21-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,28)