3-chloranyl-4-ethoxy-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[4-(2-methyl-1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[4-(2-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[4-(2-methylpiperidino)phenyl]thiocarbamoyl]benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3C)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-3-28-20-12-7-16(14-19(20)23)21(27)25-22(29)24-17-8-10-18(11-9-17)26-13-5-4-6-15(26)2/h7-12,14-15H,3-6,13H2,1-2H3,(H2,24,25,27,29)