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

Systemtic Name: 2-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-butoxy-benzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-butoxy-benzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C19H22BrN3O3S2 MolecularWeight: 484.43028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N)Br

InChI

InChI=1S/C19H22BrN3O3S2/c1-4-5-8-26-14-7-6-12(9-13(14)20)17(25)22-19(27)23-18-15(16(21)24)10(2)11(3)28-18/h6-7,9H,4-5,8H2,1-3H3,(H2,21,24)(H2,22,23,25,27)