1-(4-chlorophenyl)-3-[(Z)-7-nitro-6-oxidanyl-hept-6-enyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(Z)-7-nitro-6-oxidanyl-hept-6-enyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(Z)-6-hydroxy-7-nitro-hept-6-enyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[(Z)-6-hydroxy-7-nitrohept-6-enyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(Z)-6-hydroxy-7-nitrohept-6-enyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(Z)-6-hydroxy-7-nitro-hept-6-enyl]thiourea Formula: C14H18ClN3O3S MolecularWeight: 343.82902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCCCCCC(=C[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCCCC/C(=C/[N+](=O)[O-])/O)Cl

InChI

InChI=1S/C14H18ClN3O3S/c15-11-5-7-12(8-6-11)17-14(22)16-9-3-1-2-4-13(19)10-18(20)21/h5-8,10,19H,1-4,9H2,(H2,16,17,22)/b13-10-