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

Systemtic Name: N-[[2-(tert-butylcarbamoyl)-3-chloranyl-1-benzothiophen-7-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-[(tert-butylamino)-oxomethyl]-3-chloro-1-benzothiophen-7-yl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(tert-butylcarbamoyl)-3-chloro-1-benzothiophen-7-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(tert-butylcarbamoyl)-3-chloro-benzothiophen-7-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H18ClN5O2S3 MolecularWeight: 504.04792

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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=CC4=NSN=C4C=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3)Cl

InChI

InChI=1S/C21H18ClN5O2S3/c1-21(2,3)25-19(29)17-15(22)11-5-4-6-13(16(11)31-17)23-20(30)24-18(28)10-7-8-12-14(9-10)27-32-26-12/h4-9H,1-3H3,(H,25,29)(H2,23,24,28,30)