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

Systemtic Name: 2-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[(4-isobutoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[(4-isobutoxybenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-18(2)17-33-22-15-13-21(14-16-22)25(31)30-27(34)29-24-12-8-7-11-23(24)26(32)28-19(3)20-9-5-4-6-10-20/h4-16,18-19H,17H2,1-3H3,(H,28,32)(H2,29,30,31,34)