2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C23H22BrN3O3S2 MolecularWeight: 532.47308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)Br

InChI

InChI=1S/C23H22BrN3O3S2/c1-3-30-17-10-9-15(12-16(17)24)21(29)26-23(31)27-22-19(20(25)28)13(2)18(32-22)11-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H2,25,28)(H2,26,27,29,31)