N-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClN3O3S2/c1-25-16-5-7-17(8-6-16)27(23,24)22-11-9-21(10-12-22)18(26)20-15-4-2-3-14(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,26)