N-[1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2-methylphenyl)methyl]piperidin-4-yl]ethanamide

Systemtic Name: N-[1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2-methylphenyl)methyl]piperidin-4-yl]ethanamide Openeye Name: N-[1-(2-amino-3-sulfanyl-propanoyl)-4-(o-tolylmethyl)-4-piperidyl]acetamide CAS Name: N-[1-(2-amino-3-mercapto-1-oxopropyl)-4-[(2-methylphenyl)methyl]-4-piperidinyl]acetamide IUPAC Name: N-[1-(2-amino-3-sulfanylpropanoyl)-4-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide Traditional Name: N-[1-(2-amino-3-mercapto-propanoyl)-4-(2-methylbenzyl)-4-piperidyl]acetamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)NC(=O)C

InChI

InChI=1S/C18H27N3O2S/c1-13-5-3-4-6-15(13)11-18(20-14(2)22)7-9-21(10-8-18)17(23)16(19)12-24/h3-6,16,24H,7-12,19H2,1-2H3,(H,20,22)