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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-4-ethylbenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-4-ethyl-benzamide Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

InChI

InChI=1S/C21H24ClN3OS/c1-2-15-6-8-16(9-7-15)20(26)24-21(27)23-17-10-11-19(18(22)14-17)25-12-4-3-5-13-25/h6-11,14H,2-5,12-13H2,1H3,(H2,23,24,26,27)