1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCC2=CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCCC2=CCCCC2

InChI

InChI=1S/C16H21N3O3S/c1-22-15-11-13(19(20)21)7-8-14(15)18-16(23)17-10-9-12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H2,17,18,23)