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

Systemtic Name: N-(4-butylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O2S2/c1-4-5-6-20-8-10-21(11-9-20)24-23(29)25-13-15-26(16-14-25)30(27,28)22-12-7-18(2)19(3)17-22/h7-12,17H,4-6,13-16H2,1-3H3,(H,24,29)