N-[4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[(4-hexoxybenzoyl)carbamothioylamino]phenyl]-3-methylbenzamide Traditional Name: N-[4-[(4-hexoxybenzoyl)thiocarbamoylamino]phenyl]-3-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=C3)C

Isomeric SMILES

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

InChI

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