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

Systemtic Name: 1-butyl-3-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C13H18N4O4S MolecularWeight: 326.37142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-3-4-5-14-13(22)16-15-8-9-6-10(17(19)20)12(18)11(7-9)21-2/h6-8,15H,3-5H2,1-2H3,(H2,14,16,22)