1-(1,3-benzodioxol-5-ylmethylideneamino)-3-butyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-butyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyleneamino)-3-butyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-butylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylideneamino)-3-butylthiourea Traditional Name: 1-butyl-3-(piperonylideneamino)thiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-2-3-6-14-13(19)16-15-8-10-4-5-11-12(7-10)18-9-17-11/h4-5,7-8H,2-3,6,9H2,1H3,(H2,14,16,19)