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

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(2-chloro-4-nitro-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(2-chloro-4-nitrophenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(2-chloro-4-nitrophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(2-chloro-4-nitro-phenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C19H24ClN5O4S MolecularWeight: 453.94296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN5O4S/c20-14-11-13(25(28)29)6-7-15(14)21-19(30)22-16-5-1-2-10-24(18(16)27)12-17(26)23-8-3-4-9-23/h6-7,11,16H,1-5,8-10,12H2,(H2,21,22,30)