2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-N-phenyl-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

InChI

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