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

Systemtic Name: N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4S/c1-18(2)24(32)28-22-13-11-20(12-14-22)26(34)30-31-27(36)29-25(33)21-9-6-10-23(17-21)35-16-15-19-7-4-3-5-8-19/h3-14,17-18H,15-16H2,1-2H3,(H,28,32)(H,30,34)(H2,29,31,33,36)