1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-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-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O3S/c1-10-4-2-3-5-12(10)17-15(23)18-16-9-11-6-7-14(20)13(8-11)19(21)22/h6-10,12,16H,2-5H2,1H3,(H2,17,18,23)/t10-,12-/m0/s1