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

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O4S/c1-19(2)17-25(33)29-23-13-11-21(12-14-23)27(35)31-32-28(37)30-26(34)22-9-6-10-24(18-22)36-16-15-20-7-4-3-5-8-20/h3-14,18-19H,15-17H2,1-2H3,(H,29,33)(H,31,35)(H2,30,32,34,37)