2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C16H16BrN3O3S2 MolecularWeight: 442.35054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C

InChI

InChI=1S/C16H16BrN3O3S2/c1-7-8(2)25-15(12(7)13(18)21)20-16(24)19-14(22)9-4-5-11(23-3)10(17)6-9/h4-6H,1-3H3,(H2,18,21)(H2,19,20,22,24)