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

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H25N3O4S2/c1-4-7-17-16(24)18-8-10-19(11-9-18)25(20,21)13-5-6-14(22-2)15(12-13)23-3/h5-6,12H,4,7-11H2,1-3H3,(H,17,24)