3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(3-methylphenyl)benzamide

Systemtic Name: 3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-(3-methylphenyl)benzamide Openeye Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-(m-tolyl)benzamide CAS Name: 3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-(3-methylphenyl)benzamide Traditional Name: 3-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-(m-tolyl)benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C28H31N3O3S/c1-3-4-5-6-17-34-25-15-13-21(14-16-25)26(32)31-28(35)30-24-12-8-10-22(19-24)27(33)29-23-11-7-9-20(2)18-23/h7-16,18-19H,3-6,17H2,1-2H3,(H,29,33)(H2,30,31,32,35)