N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-18(2)24(30)27-21-11-13-22(14-12-21)28-26(33)29-25(31)20-9-6-10-23(17-20)32-16-15-19-7-4-3-5-8-19/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)(H2,28,29,31,33)