3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 3-[(4-pentoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[(4-pentoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 3-[(4-amoxybenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)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(=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-3-4-8-18-34-25-16-14-22(15-17-25)26(32)31-28(35)30-24-13-9-12-23(19-24)27(33)29-20(2)21-10-6-5-7-11-21/h5-7,9-17,19-20H,3-4,8,18H2,1-2H3,(H,29,33)(H2,30,31,32,35)