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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[(3-isobutoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-[(3-isobutoxybenzoyl)thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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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(=CC=C3)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-4-33-21-14-12-20(13-15-21)28-26(32)23-10-5-6-11-24(23)29-27(35)30-25(31)19-8-7-9-22(16-19)34-17-18(2)3/h5-16,18H,4,17H2,1-3H3,(H,28,32)(H2,29,30,31,35)