N-ethyl-4-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

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

Isomeric SMILES

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

InChI

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