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

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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