N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H27N3O3S2/c1-4-27-19-7-9-20(10-8-19)29(25,26)24-13-11-23(12-14-24)21(28)22-18-6-5-16(2)17(3)15-18/h5-10,15H,4,11-14H2,1-3H3,(H,22,28)