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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methyl-5-propan-2-yl-3-benzofuranyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetyl]amino]-3-piperonyl-thiourea Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4)C(C)C

InChI

InChI=1S/C23H25N3O4S/c1-13(2)17-9-18-16(11-28-20(18)6-14(17)3)8-22(27)25-26-23(31)24-10-15-4-5-19-21(7-15)30-12-29-19/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,25,27)(H2,24,26,31)