methyl 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[2-(1-azanylbutyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminobutyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-aminobutyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminobutyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

CCCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C19H25N3O3S2/c1-3-7-14(20)18-22-15(12-27-18)17(23)21-16(19(24)25-2)11-26-10-13-8-5-4-6-9-13/h4-6,8-9,12,14,16H,3,7,10-11,20H2,1-2H3,(H,21,23)