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

Systemtic Name: methyl 2-[[2-(1-azanylpropyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-aminopropyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminopropyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-aminopropyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminopropyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-3-13(19)17-21-14(11-26-17)16(22)20-15(18(23)24-2)10-25-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10,19H2,1-2H3,(H,20,22)