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

Systemtic Name: 1-[(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Openeye Name: 1-[(3-ethoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(3-ethoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(3-ethoxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=S)NC2=CC=CC=C2)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CNNC(=S)NC2=CC=CC=C2)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-2-24-14-9-11(8-13(15(14)21)20(22)23)10-17-19-16(25)18-12-6-4-3-5-7-12/h3-10,17H,2H2,1H3,(H2,18,19,25)