3-chloranyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H18ClN3O2S2/c22-17-15-5-1-2-6-16(15)29-18(17)19(26)24-21(28)23-14-9-7-13(8-10-14)20(27)25-11-3-4-12-25/h1-2,5-10H,3-4,11-12H2,(H2,23,24,26,28)