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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-7(2)14-12(21)15-13-6-8-4-9(16(18)19)11(17)10(5-8)20-3/h4-7,13H,1-3H3,(H2,14,15,21)