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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3OS/c1-15(2)16-6-8-17(9-7-16)21(27)25-22(28)24-18-10-11-20(19(23)14-18)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H2,24,25,27,28)