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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-piperonyl-thiourea Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c21-13-3-1-10(5-12(13)20(22)23)8-18-19-16(26)17-7-11-2-4-14-15(6-11)25-9-24-14/h1-6,8,18H,7,9H2,(H2,17,19,26)