1-(4-chlorophenyl)-3-(7-nitro-6-oxidanylidene-heptyl)thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-(7-nitro-6-oxidanylidene-heptyl)thiourea Openeye Name: 1-(4-chlorophenyl)-3-(7-nitro-6-oxo-heptyl)thiourea CAS Name: 1-(4-chlorophenyl)-3-(7-nitro-6-oxoheptyl)thiourea IUPAC Name: 1-(4-chlorophenyl)-3-(7-nitro-6-oxoheptyl)thiourea Traditional Name: 1-(4-chlorophenyl)-3-(6-keto-7-nitro-heptyl)thiourea Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCCCCCC(=O)C[N+](=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/h5-8H,1-4,9-10H2,(H2,16,17,22)