1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]-3-piperonyl-thiourea Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-12-2-4-15-14(10-25-17(15)6-12)8-19(24)22-23-20(28)21-9-13-3-5-16-18(7-13)27-11-26-16/h2-7,10H,8-9,11H2,1H3,(H,22,24)(H2,21,23,28)