N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[2-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c1-21(2,3)25-18(26)12-8-4-6-10-14(12)23-20(28)24-19(27)17-16(22)13-9-5-7-11-15(13)29-17/h4-11H,1-3H3,(H,25,26)(H2,23,24,27,28)