1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-cyanophenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-cyanophenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-cyanophenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-cyanophenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-cyanophenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-cyanobenzylidene)amino]-3-piperonyl-thiourea Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C\C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N4O2S/c18-8-12-1-3-13(4-2-12)10-20-21-17(24)19-9-14-5-6-15-16(7-14)23-11-22-15/h1-7,10H,9,11H2,(H2,19,21,24)/b20-10-