1-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enylidene]amino]thiourea

Systemtic Name: 1-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enylidene]amino]thiourea Openeye Name: [(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enylidene]amino]thiourea CAS Name: [(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]thiourea IUPAC Name: [(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enylidene]amino]thiourea Traditional Name: [(E)-[(E)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enylidene]amino]thiourea Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)OCO2)C=NNC(=S)N

Isomeric SMILES

C/C(=C\C1=CC2=C(C=C1)OCO2)/C=N/NC(=S)N

InChI

InChI=1S/C12H13N3O2S/c1-8(6-14-15-12(13)18)4-9-2-3-10-11(5-9)17-7-16-10/h2-6H,7H2,1H3,(H3,13,15,18)/b8-4+,14-6+