N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-3-methyl-coumarilamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCCCC4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-16-7-3-4-8-19(16)28-20(14)21(27)25-22(29)24-15-9-10-18(17(23)13-15)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,24,25,27,29)