N-(4-butylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC

InChI

InChI=1S/C23H31N3OS/c1-3-5-8-19-11-13-20(14-12-19)24-23(28)26-17-15-25(16-18-26)21-9-6-7-10-22(21)27-4-2/h6-7,9-14H,3-5,8,15-18H2,1-2H3,(H,24,28)