1-(4-methoxy-2-nitro-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(4-methoxy-2-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-(4-methoxy-2-nitro-phenyl)thiourea Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC2CCCCN(C2=O)CC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC2CCCCN(C2=O)CC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5S/c1-30-14-7-8-15(17(12-14)25(28)29)21-20(31)22-16-6-2-3-11-24(19(16)27)13-18(26)23-9-4-5-10-23/h7-8,12,16H,2-6,9-11,13H2,1H3,(H2,21,22,31)