N-(4-ethoxyphenyl)-2-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[(2-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-[(2-isoamoxybenzoyl)thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C28H31N3O4S MolecularWeight: 505.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3OCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3OCCC(C)C

InChI

InChI=1S/C28H31N3O4S/c1-4-34-21-15-13-20(14-16-21)29-26(32)22-9-5-7-11-24(22)30-28(36)31-27(33)23-10-6-8-12-25(23)35-18-17-19(2)3/h5-16,19H,4,17-18H2,1-3H3,(H,29,32)(H2,30,31,33,36)