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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-butoxy-3-methoxy-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-butoxy-3-methoxy-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-butoxy-3-methoxy-benzylidene)amino]-3-piperonyl-thiourea Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H25N3O4S/c1-3-4-9-26-17-7-6-16(10-19(17)25-2)13-23-24-21(29)22-12-15-5-8-18-20(11-15)28-14-27-18/h5-8,10-11,13H,3-4,9,12,14H2,1-2H3,(H2,22,24,29)/b23-13-