2-[[2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-phenethyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-19(2)18-33-24-15-9-7-13-22(24)26(32)30-27(34)29-23-14-8-6-12-21(23)25(31)28-17-16-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3,(H,28,31)(H2,29,30,32,34)