2-[(2-bromophenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(2-bromophenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(2-bromobenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(2-bromobenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(2-bromobenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C21H18BrN3O2S2 MolecularWeight: 488.42052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=CC=C2Br)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=CC=C2Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H18BrN3O2S2/c1-12-16(11-13-7-3-2-4-8-13)29-20(17(12)18(23)26)25-21(28)24-19(27)14-9-5-6-10-15(14)22/h2-10H,11H2,1H3,(H2,23,26)(H2,24,25,27,28)