4-bromanyl-N-[2,5-dimethoxy-4-[(phenylmethyl)carbamothioylamino]phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[2,5-dimethoxy-4-[(phenylmethyl)carbamothioylamino]phenyl]benzamide Openeye Name: N-[4-(benzylcarbamothioylamino)-2,5-dimethoxy-phenyl]-4-bromo-benzamide CAS Name: 4-bromo-N-[2,5-dimethoxy-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: N-[4-(benzylcarbamothioylamino)-2,5-dimethoxyphenyl]-4-bromobenzamide Traditional Name: N-[4-(benzylthiocarbamoylamino)-2,5-dimethoxy-phenyl]-4-bromo-benzamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)Br)OC)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)Br)OC)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H22BrN3O3S/c1-29-20-13-19(27-23(31)25-14-15-6-4-3-5-7-15)21(30-2)12-18(20)26-22(28)16-8-10-17(24)11-9-16/h3-13H,14H2,1-2H3,(H,26,28)(H2,25,27,31)