1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-ethoxybenzofuran-2-yl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-ethoxy-2-benzofuranyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(7-ethoxybenzofuran-2-yl)ethylideneamino]-3-piperonyl-thiourea Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=NNC(=S)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)/C(=N\NC(=S)NCC3=CC4=C(C=C3)OCO4)/C

InChI

InChI=1S/C21H21N3O4S/c1-3-25-17-6-4-5-15-10-18(28-20(15)17)13(2)23-24-21(29)22-11-14-7-8-16-19(9-14)27-12-26-16/h4-10H,3,11-12H2,1-2H3,(H2,22,24,29)/b23-13-