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

Systemtic Name: 3-chloranyl-4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[[4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[[4-(4-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)N3CCC(CC3)C)Cl

Isomeric SMILES

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

InChI

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