N-(2-methoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S2/c1-24-17-10-6-5-9-16(17)19-18(25)20-11-13-21(14-12-20)26(22,23)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,25)