N-(5-chloranyl-2-methoxy-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(5-chloro-2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide Formula: C18H20ClN3O3S2 MolecularWeight: 425.9527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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