1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(2-methoxy-4-methyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(2-methoxy-4-methyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2-furylmethyl)-3-(2-methoxy-4-methyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2-furanylmethyl)-3-(2-methoxy-4-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(2-methoxy-4-methylphenyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(2-methoxy-4-methyl-phenyl)-1-piperonyl-thiourea Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4)OC

InChI

InChI=1S/C22H22N2O4S/c1-15-5-7-18(20(10-15)25-2)23-22(29)24(13-17-4-3-9-26-17)12-16-6-8-19-21(11-16)28-14-27-19/h3-11H,12-14H2,1-2H3,(H,23,29)