4-(2,5-dimethoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethoxyphenyl)sulfonyl-N-(1-phenylethyl)piperazine-1-carbothioamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S2/c1-16(17-7-5-4-6-8-17)22-21(29)23-11-13-24(14-12-23)30(25,26)20-15-18(27-2)9-10-19(20)28-3/h4-10,15-16H,11-14H2,1-3H3,(H,22,29)