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

Systemtic Name: N-[[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-[(tert-butylamino)-oxomethyl]-3-chloro-1-benzothiophen-7-yl]amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(tert-butylcarbamoyl)-3-chloro-1-benzothiophen-7-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C25H21ClN4O5S2 MolecularWeight: 557.04104

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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=CC=C4[N+](=O)[O-])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=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C25H21ClN4O5S2/c1-25(2,3)29-23(32)21-19(26)14-8-6-9-15(20(14)37-21)27-24(36)28-22(31)18-12-11-17(35-18)13-7-4-5-10-16(13)30(33)34/h4-12H,1-3H3,(H,29,32)(H2,27,28,31,36)