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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-8-10-26(11-9-14)18-7-6-16(13-17(18)23)24-22(29)25-21(27)20-12-15-4-2-3-5-19(15)28-20/h2-7,12-14H,8-11H2,1H3,(H2,24,25,27,29)