2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(4-pentoxybenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(4-pentoxybenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-N-phenethyl-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-2-3-9-20-34-23-16-14-22(15-17-23)26(32)31-28(35)30-25-13-8-7-12-24(25)27(33)29-19-18-21-10-5-4-6-11-21/h4-8,10-17H,2-3,9,18-20H2,1H3,(H,29,33)(H2,30,31,32,35)