1-(2-chloranyl-5-nitro-phenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiourea Formula: C15H18ClN5O4S MolecularWeight: 399.85252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClN5O4S/c16-11-6-5-10(21(24)25)8-12(11)17-15(26)19-18-13(22)9-20-7-3-1-2-4-14(20)23/h5-6,8H,1-4,7,9H2,(H,18,22)(H2,17,19,26)