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

Systemtic Name: N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCC(CC3)C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCC(CC3)C)Cl

InChI

InChI=1S/C22H26ClN3OS/c1-3-16-4-6-17(7-5-16)21(27)25-22(28)24-18-8-9-20(19(23)14-18)26-12-10-15(2)11-13-26/h4-9,14-15H,3,10-13H2,1-2H3,(H2,24,25,27,28)