N-(4-butylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-m-anisyl-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)CC3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3OS/c1-3-4-6-19-9-11-21(12-10-19)24-23(28)26-15-13-25(14-16-26)18-20-7-5-8-22(17-20)27-2/h5,7-12,17H,3-4,6,13-16,18H2,1-2H3,(H,24,28)