3-methyl-N-[4-[[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[[(3-phenethyloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[oxo-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[[(3-phenethyloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 3-methyl-N-[4-[[(3-phenethyloxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C31H28N4O4S/c1-21-7-5-10-24(19-21)28(36)32-26-15-13-23(14-16-26)30(38)34-35-31(40)33-29(37)25-11-6-12-27(20-25)39-18-17-22-8-3-2-4-9-22/h2-16,19-20H,17-18H2,1H3,(H,32,36)(H,34,38)(H2,33,35,37,40)