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

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C23H28ClN3O2S/c1-16(2)15-29-18-11-9-17(10-12-18)22(28)26-23(30)25-20-8-6-7-19(24)21(20)27-13-4-3-5-14-27/h6-12,16H,3-5,13-15H2,1-2H3,(H2,25,26,28,30)