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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-propoxy-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-propoxy-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(3-methoxy-4-propoxy-benzylidene)amino]-3-piperonyl-thiourea Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H23N3O4S/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/h4-7,9-10,12H,3,8,11,13H2,1-2H3,(H2,21,23,28)/b22-12-