N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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