N-[3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C20H15Br2N3O3S2 MolecularWeight: 569.2894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)Br)Br

InChI

InChI=1S/C20H15Br2N3O3S2/c1-28-17-14(8-11(21)9-15(17)22)18(26)25-20(29)24-13-5-2-4-12(10-13)23-19(27)16-6-3-7-30-16/h2-10H,1H3,(H,23,27)(H2,24,25,26,29)