N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19Cl2N3O3S2 MolecularWeight: 460.39776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3O3S2/c1-26-14-3-5-15(6-4-14)28(24,25)23-10-8-22(9-11-23)18(27)21-13-2-7-16(19)17(20)12-13/h2-7,12H,8-11H2,1H3,(H,21,27)