N-[(2-piperidin-1-ylphenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(2-piperidin-1-ylphenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[[2-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-piperidin-1-ylphenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-piperidinophenyl)thiocarbamoyl]benzamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C22H27N3OS/c1-16(2)17-10-12-18(13-11-17)21(26)24-22(27)23-19-8-4-5-9-20(19)25-14-6-3-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H2,23,24,26,27)