3-[[4-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[[4-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 3-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[[4-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 3-[[4-(2-ethoxyethoxy)benzoyl]thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-3-33-16-17-34-24-14-12-21(13-15-24)25(31)30-27(35)29-23-11-7-10-22(18-23)26(32)28-19(2)20-8-5-4-6-9-20/h4-15,18-19H,3,16-17H2,1-2H3,(H,28,32)(H2,29,30,31,35)