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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-methoxybenzofuran-2-yl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-methoxy-2-benzofuranyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]thiourea Traditional Name: 1-[(Z)-1-(7-methoxybenzofuran-2-yl)ethylideneamino]-3-piperonyl-thiourea Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C20H19N3O4S/c1-12(17-9-14-4-3-5-16(24-2)19(14)27-17)22-23-20(28)21-10-13-6-7-15-18(8-13)26-11-25-15/h3-9H,10-11H2,1-2H3,(H2,21,23,28)/b22-12-