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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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