1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]thiourea Openeye Name: 1-[(Z)-(4-allyloxy-3-methoxy-phenyl)methyleneamino]-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-allyloxy-3-methoxy-benzylidene)amino]-3-piperonyl-thiourea Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-3-8-25-16-6-5-15(9-18(16)24-2)12-22-23-20(28)21-11-14-4-7-17-19(10-14)27-13-26-17/h3-7,9-10,12H,1,8,11,13H2,2H3,(H2,21,23,28)/b22-12-