N-[4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(4-hexoxybenzoyl)thiocarbamoylamino]phenyl]-2-methyl-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=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C28H31N3O3S/c1-3-4-5-8-19-34-24-17-11-21(12-18-24)26(32)31-28(35)30-23-15-13-22(14-16-23)29-27(33)25-10-7-6-9-20(25)2/h6-7,9-18H,3-5,8,19H2,1-2H3,(H,29,33)(H2,30,31,32,35)