1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-6-ylcarbonylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-6-ylcarbonylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazole-6-carbonylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazole-6-carbonylamino)thiourea Traditional Name: 1-(1,3-benzothiazole-6-carbonylamino)-3-piperonyl-thiourea Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C17H14N4O3S2/c22-16(11-2-3-12-15(6-11)26-8-19-12)20-21-17(25)18-7-10-1-4-13-14(5-10)24-9-23-13/h1-6,8H,7,9H2,(H,20,22)(H2,18,21,25)