1-[(2R)-1-methoxypropan-2-yl]-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(1R)-2-methoxy-1-methyl-ethyl]thiourea Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NNC=C1C=CC(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NC(=S)NNC=C1C=CC(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-8(7-20-2)14-12(21)15-13-6-9-3-4-11(17)10(5-9)16(18)19/h3-6,8,13H,7H2,1-2H3,(H2,14,15,21)/t8-/m1/s1