N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-isobutylphenyl)sulfonyl-N-p-phenetyl-piperazine-1-carbothioamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S2/c1-4-29-21-9-7-20(8-10-21)24-23(30)25-13-15-26(16-14-25)31(27,28)22-11-5-19(6-12-22)17-18(2)3/h5-12,18H,4,13-17H2,1-3H3,(H,24,30)