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

Systemtic Name: N-[4-[(2-hexoxyphenyl)carbonylcarbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(2-hexoxybenzoyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[(2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[(2-hexoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(2-hexoxybenzoyl)thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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