ethyl 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H29N3O3S/c1-4-25-19(24)22-11-9-16(10-12-22)20-18(23)14-21(2)13-15-5-7-17(26-3)8-6-15/h5-8,16H,4,9-14H2,1-3H3,(H,20,23)