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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(2-ketoazepan-1-yl)propyl]thiourea Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O3S/c17-13-7-6-12(21(23)24)11-14(13)19-16(25)18-8-4-10-20-9-3-1-2-5-15(20)22/h6-7,11H,1-5,8-10H2,(H2,18,19,25)