N-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-2-methoxy-benzamide Openeye Name: N-[1-[(2,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-2-methoxy-benzamide CAS Name: N-[1-[(2,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-2-methoxybenzamide IUPAC Name: N-[1-[(2,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-2-methoxybenzamide Traditional Name: N-[1-[(2,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-2-methoxy-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H27N3O2S/c1-15-8-9-16(2)19(14-15)24-22(28)25-12-10-17(11-13-25)23-21(26)18-6-4-5-7-20(18)27-3/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)(H,24,28)