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

Systemtic Name: 1-[(5-nitro-2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2-hydroxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(2-hydroxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2-hydroxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(2-hydroxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC=C2C=C(C(=O)C=C2O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC=C2C=C(C(=O)C=C2O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c20-13-7-14(21)12(19(22)23)6-11(13)9-17-18-15(24)16-8-10-4-2-1-3-5-10/h1-7,9,17,20H,8H2,(H2,16,18,24)