N-(4-butylphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(3-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-2-3-5-17-8-10-18(11-9-17)22-21(26)24-14-12-23(13-15-24)19-6-4-7-20(25)16-19/h4,6-11,16,25H,2-3,5,12-15H2,1H3,(H,22,26)