N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(4-bromophenyl)thiazol-2-yl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C20H14BrN3O2S2 MolecularWeight: 472.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrN3O2S2/c1-11-14-4-2-3-5-16(14)26-17(11)18(25)23-19(27)24-20-22-15(10-28-20)12-6-8-13(21)9-7-12/h2-10H,1H3,(H2,22,23,24,25,27)