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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(3-ethoxy-4-propargyloxy-benzylidene)amino]-3-piperonyl-thiourea Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)NCC2=CC3=C(C=C2)OCO3)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\NC(=S)NCC2=CC3=C(C=C2)OCO3)OCC#C

InChI

InChI=1S/C21H21N3O4S/c1-3-9-26-17-7-6-16(11-19(17)25-4-2)13-23-24-21(29)22-12-15-5-8-18-20(10-15)28-14-27-18/h1,5-8,10-11,13H,4,9,12,14H2,2H3,(H2,22,24,29)/b23-13-