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

Systemtic Name: 1-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-10-5-3-4-6-12(10)18-16(25)19-17-9-11-7-13(20(22)23)15(21)14(8-11)24-2/h7-10,12,17H,3-6H2,1-2H3,(H2,18,19,25)/t10-,12-/m0/s1