4-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidin-2-yl]carbonylpiperazine-1-carboximidamide; 3-(4-nitrophenyl)oxiran-2-one

Systemtic Name: 4-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidin-2-yl]carbonylpiperazine-1-carboximidamide; 3-(4-nitrophenyl)oxiran-2-one Openeye Name: 4-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidine-2-carbonyl]piperazine-1-carboxamidine; 3-(4-nitrophenyl)oxiran-2-one CAS Name: 4-[[4-[(4-methoxyphenyl)methylthio]-1-methyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinecarboximidamide; 3-(4-nitrophenyl)-2-oxiranone IUPAC Name: 4-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyrrolidine-2-carbonyl]piperazine-1-carboximidamide; 3-(4-nitrophenyl)oxiran-2-one Traditional Name: 4-[1-methyl-4-(p-anisylthio)prolyl]piperazine-1-carboxamidine; 3-(4-nitrophenyl)oxiran-2-one Formula: C27H34N6O6S MolecularWeight: 570.66046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1C(=O)N2CCN(CC2)C(=N)N)SCC3=CC=C(C=C3)OC.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CN1CC(CC1C(=O)N2CCN(CC2)C(=N)N)SCC3=CC=C(C=C3)OC.C1=CC(=CC=C1C2C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O2S.C8H5NO4/c1-22-12-16(27-13-14-3-5-15(26-2)6-4-14)11-17(22)18(25)23-7-9-24(10-8-23)19(20)21;10-8-7(13-8)5-1-3-6(4-2-5)9(11)12/h3-6,16-17H,7-13H2,1-2H3,(H3,20,21);1-4,7H