1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(3-hydroxy-4-methoxy-benzylidene)amino]-3-piperonyl-thiourea Formula: C17H17N3O4S MolecularWeight: 359.39958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H17N3O4S/c1-22-14-4-2-11(6-13(14)21)9-19-20-17(25)18-8-12-3-5-15-16(7-12)24-10-23-15/h2-7,9,21H,8,10H2,1H3,(H2,18,20,25)/b19-9-