N-[4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C20H16BrN3O3S2 MolecularWeight: 490.39334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)Br

InChI

InChI=1S/C20H16BrN3O3S2/c1-27-16-9-4-12(11-15(16)21)18(25)24-20(28)23-14-7-5-13(6-8-14)22-19(26)17-3-2-10-29-17/h2-11H,1H3,(H,22,26)(H2,23,24,25,28)