N-(4-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-p-anisyl-piperazine-1-carbothioamide Formula: C23H31N3OS MolecularWeight: 397.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)OC

InChI

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