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

Systemtic Name: N-cyclopropyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-cyclopropyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclopropyl-4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclopropyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclopropyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CC3)OC

InChI

InChI=1S/C16H23N3O4S2/c1-22-14-6-5-13(11-15(14)23-2)25(20,21)19-9-7-18(8-10-19)16(24)17-12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,17,24)