4-(2,5-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-p-anisyl-piperazine-1-carbothioamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O3S2/c1-16-4-5-17(2)20(14-16)29(25,26)24-12-10-23(11-13-24)21(28)22-15-18-6-8-19(27-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3,(H,22,28)