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

Systemtic Name: 3-chloranyl-N-[(4-piperidin-1-ylcarbonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H20ClN3O2S2/c23-18-16-6-2-3-7-17(16)30-19(18)20(27)25-22(29)24-15-10-8-14(9-11-15)21(28)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2,(H2,24,25,27,29)