1-(3-nitrophenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(3-nitrophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(3-nitrophenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(3-nitrophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(3-nitrophenyl)thiourea Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)N3CCCC3

InChI

InChI=1S/C19H25N5O4S/c25-17(22-9-3-4-10-22)13-23-11-2-1-8-16(18(23)26)21-19(29)20-14-6-5-7-15(12-14)24(27)28/h5-7,12,16H,1-4,8-11,13H2,(H2,20,21,29)