4-tert-butyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]benzamide Formula: C23H28ClN3OS MolecularWeight: 430.00592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3OS/c1-23(2,3)17-12-10-16(11-13-17)21(28)26-22(29)25-19-9-7-8-18(24)20(19)27-14-5-4-6-15-27/h7-13H,4-6,14-15H2,1-3H3,(H2,25,26,28,29)