1-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea Openeye Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]thiourea CAS Name: [(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea IUPAC Name: [(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylideneamino]thiourea Traditional Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]thiourea Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N\NC(=S)N)/C=CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13N3O2S/c1-8(14-15-12(13)18)2-3-9-4-5-10-11(6-9)17-7-16-10/h2-6H,7H2,1H3,(H3,13,15,18)/b3-2?,14-8+