N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCC(CC3)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCC(CC3)C)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-3-28-18-7-4-16(5-8-18)21(27)25-22(29)24-17-6-9-20(19(23)14-17)26-12-10-15(2)11-13-26/h4-9,14-15H,3,10-13H2,1-2H3,(H2,24,25,27,29)