N-ethyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: N-ethyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: N-ethyl-2-[(4-pentoxybenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: N-ethyl-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-2-[(4-pentoxybenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: 2-[(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=CC=C2C(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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