1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-piperonyl-thiourea Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O5S/c17-11-4-10(15(22)12(5-11)21(23)24)7-19-20-16(27)18-6-9-1-2-13-14(3-9)26-8-25-13/h1-5,7,19H,6,8H2,(H2,18,20,27)