N-[2,3-bis(chloranyl)phenyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dichlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19Cl2N3O3S2 MolecularWeight: 460.39776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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