N-(2,3-dimethylphenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-(4-ethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H27N3O2S2/c1-4-18-8-10-19(11-9-18)28(25,26)24-14-12-23(13-15-24)21(27)22-20-7-5-6-16(2)17(20)3/h5-11H,4,12-15H2,1-3H3,(H,22,27)