1-dodecyl-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-dodecyl-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-dodecyl-3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-dodecyl-3-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-dodecyl-3-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-lauryl-thiourea Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NNC=C1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NNC=C1C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O3S/c1-2-3-4-5-6-7-8-9-10-11-14-21-20(28)23-22-16-17-15-18(24(26)27)12-13-19(17)25/h12-13,15-16,22H,2-11,14H2,1H3,(H2,21,23,28)