3-chloranyl-N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H22ClN3O2S2 MolecularWeight: 472.02268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H22ClN3O2S2/c1-14-10-12-27(13-11-14)22(29)15-6-8-16(9-7-15)25-23(30)26-21(28)20-19(24)17-4-2-3-5-18(17)31-20/h2-9,14H,10-13H2,1H3,(H2,25,26,28,30)