4-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-o-anisyl-piperazine-1-carbothioamide Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O3S2/c1-26-18-5-3-2-4-15(18)14-21-19(27)22-10-12-23(13-11-22)28(24,25)17-8-6-16(20)7-9-17/h2-9H,10-14H2,1H3,(H,21,27)