5-(4-bromophenyl)-N-[[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[2-[(tert-butylamino)-oxomethyl]-3-chloro-1-benzothiophen-7-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[2-(tert-butylcarbamoyl)-3-chloro-1-benzothiophen-7-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]thiocarbamoyl]-2-furamide Formula: C25H21BrClN3O3S2 MolecularWeight: 590.93954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C25H21BrClN3O3S2/c1-25(2,3)30-23(32)21-19(27)15-5-4-6-16(20(15)35-21)28-24(34)29-22(31)18-12-11-17(33-18)13-7-9-14(26)10-8-13/h4-12H,1-3H3,(H,30,32)(H2,28,29,31,34)