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

Systemtic Name: 1-(4-methoxyphenyl)-3-(7-nitro-6-oxidanylidene-heptyl)thiourea Openeye Name: 1-(4-methoxyphenyl)-3-(7-nitro-6-oxo-heptyl)thiourea CAS Name: 1-(4-methoxyphenyl)-3-(7-nitro-6-oxoheptyl)thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-(7-nitro-6-oxoheptyl)thiourea Traditional Name: 1-(6-keto-7-nitro-heptyl)-3-(4-methoxyphenyl)thiourea Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCCCCC(=O)C[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCCCCC(=O)C[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4S/c1-22-14-8-6-12(7-9-14)17-15(23)16-10-4-2-3-5-13(19)11-18(20)21/h6-9H,2-5,10-11H2,1H3,(H2,16,17,23)