(4-methylphenyl) N-butyl-N-[(4-hydroxyphenyl)methyl]-N'-[(phenylmethyl)carbamoyl]carbamimidothioate

Systemtic Name: (4-methylphenyl) N-butyl-N-[(4-hydroxyphenyl)methyl]-N'-[(phenylmethyl)carbamoyl]carbamimidothioate Openeye Name: (3Z)-1-benzyl-3-[[butyl-[(4-hydroxyphenyl)methyl]amino]-(p-tolylsulfanyl)methylene]urea CAS Name: N-butyl-N-[(4-hydroxyphenyl)methyl]-N'-[oxo-[(phenylmethyl)amino]methyl]carbamimidothioic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) N'-(benzylcarbamoyl)-N-butyl-N-[(4-hydroxyphenyl)methyl]carbamimidothioate Traditional Name: (3Z)-1-benzyl-3-[[butyl-(4-hydroxybenzyl)amino]-(p-tolylthio)methylene]urea Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)O)C(=NC(=O)NCC2=CC=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)O)/C(=N/C(=O)NCC2=CC=CC=C2)/SC3=CC=C(C=C3)C

InChI

InChI=1S/C27H31N3O2S/c1-3-4-18-30(20-23-12-14-24(31)15-13-23)27(33-25-16-10-21(2)11-17-25)29-26(32)28-19-22-8-6-5-7-9-22/h5-17,31H,3-4,18-20H2,1-2H3,(H,28,32)/b29-27-