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

Systemtic Name: 1-(4-methoxyphenyl)-3-[(Z)-7-nitro-6-oxidanyl-hept-6-enyl]thiourea Openeye Name: 1-[(Z)-6-hydroxy-7-nitro-hept-6-enyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(Z)-6-hydroxy-7-nitrohept-6-enyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(Z)-6-hydroxy-7-nitrohept-6-enyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(Z)-6-hydroxy-7-nitro-hept-6-enyl]-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(=C[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCCCC/C(=C/[N+](=O)[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/h6-9,11,19H,2-5,10H2,1H3,(H2,16,17,23)/b13-11-