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

Systemtic Name: N-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(5-bromo-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[(5-bromo-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[(5-bromo-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(5-bromo-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Br

InChI

InChI=1S/C23H22BrN3O3S/c1-14-6-4-5-7-17(14)22(28)25-15-8-10-16(11-9-15)26-23(31)27-19-12-18(24)20(29-2)13-21(19)30-3/h4-13H,1-3H3,(H,25,28)(H2,26,27,31)