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

Systemtic Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[3-(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=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

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

InChI

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