[1-[ethyl(pyrrolidin-1-yl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamic acid

Systemtic Name: [1-[ethyl(pyrrolidin-1-yl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamic acid Openeye Name: [1-(benzylsulfanylmethyl)-2-[ethyl(pyrrolidin-1-yl)amino]-2-oxo-ethyl]carbamic acid CAS Name: [1-[ethyl(1-pyrrolidinyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]carbamic acid IUPAC Name: [3-benzylsulfanyl-1-[ethyl(pyrrolidin-1-yl)amino]-1-oxopropan-2-yl]carbamic acid Traditional Name: [1-[(benzylthio)methyl]-2-[ethyl(pyrrolidino)amino]-2-keto-ethyl]carbamic acid Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C(CSCC1=CC=CC=C1)NC(=O)O)N2CCCC2

Isomeric SMILES

CCN(C(=O)C(CSCC1=CC=CC=C1)NC(=O)O)N2CCCC2

InChI

InChI=1S/C17H25N3O3S/c1-2-20(19-10-6-7-11-19)16(21)15(18-17(22)23)13-24-12-14-8-4-3-5-9-14/h3-5,8-9,15,18H,2,6-7,10-13H2,1H3,(H,22,23)