1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methoxypropyl)thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(3-methoxypropyl)thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(3-methoxypropyl)thiourea Traditional Name: 1-(3-methoxypropyl)-3-[(E)-piperonylideneamino]thiourea Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NN=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COCCCNC(=S)N/N=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17N3O3S/c1-17-6-2-5-14-13(20)16-15-8-10-3-4-11-12(7-10)19-9-18-11/h3-4,7-8H,2,5-6,9H2,1H3,(H2,14,16,20)/b15-8+