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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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