N-(4-butyl-2-methyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(3-methoxyphenyl)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=C3)OC)C

Isomeric SMILES

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

InChI

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