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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-piperonyl-thiourea Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC=C3C=CC(=O)C(=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC=C3C=CC(=O)C(=C3)O

InChI

InChI=1S/C16H15N3O4S/c20-12-3-1-10(5-13(12)21)8-18-19-16(24)17-7-11-2-4-14-15(6-11)23-9-22-14/h1-6,8,18,21H,7,9H2,(H2,17,19,24)