2-chloranyl-N-[2-methoxy-4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-methoxy-4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: N-[4-[(3-benzyloxybenzoyl)carbamothioylamino]-2-methoxy-phenyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[2-methoxy-4-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: N-[4-[(3-benzoxybenzoyl)thiocarbamoylamino]-2-methoxy-phenyl]-2-chloro-benzamide Formula: C29H24ClN3O4S MolecularWeight: 546.03656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C29H24ClN3O4S/c1-36-26-17-21(14-15-25(26)32-28(35)23-12-5-6-13-24(23)30)31-29(38)33-27(34)20-10-7-11-22(16-20)37-18-19-8-3-2-4-9-19/h2-17H,18H2,1H3,(H,32,35)(H2,31,33,34,38)