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

Systemtic Name: N-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-4-methoxy-benzamide Openeye Name: N-[4-[(5-bromo-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-4-methoxy-benzamide CAS Name: N-[4-[[(5-bromo-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-4-methoxybenzamide IUPAC Name: N-[4-[(5-bromo-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-4-methoxybenzamide Traditional Name: N-[4-[(5-bromo-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]-4-methoxy-benzamide Formula: C23H22BrN3O4S MolecularWeight: 516.40748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Br

InChI

InChI=1S/C23H22BrN3O4S/c1-29-17-10-4-14(5-11-17)22(28)25-15-6-8-16(9-7-15)26-23(32)27-19-12-18(24)20(30-2)13-21(19)31-3/h4-13H,1-3H3,(H,25,28)(H2,26,27,32)