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

Systemtic Name: 2-methyl-N-[4-[[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 2-methyl-N-[4-[[(3-phenethyloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 2-methyl-N-[4-[oxo-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-[[(3-phenethyloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 2-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=C1C(=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=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

InChI

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