N-(2-methoxy-5-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O4S2/c1-15-4-9-19(27-3)18(14-15)21-20(28)22-10-12-23(13-11-22)29(24,25)17-7-5-16(26-2)6-8-17/h4-9,14H,10-13H2,1-3H3,(H,21,28)