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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C22H20BrN3O3S2 MolecularWeight: 518.4465

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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)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)CC3=CC=CC=C3

InChI

InChI=1S/C22H20BrN3O3S2/c1-12-17(10-13-6-4-3-5-7-13)31-21(18(12)19(24)27)26-22(30)25-20(28)14-8-9-16(29-2)15(23)11-14/h3-9,11H,10H2,1-2H3,(H2,24,27)(H2,25,26,28,30)