1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(3-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(3-methoxyphenyl)thiourea Traditional Name: 1-benzyl-3-(3-methoxyphenyl)-1-piperonyl-thiourea Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O3S/c1-26-20-9-5-8-19(13-20)24-23(29)25(14-17-6-3-2-4-7-17)15-18-10-11-21-22(12-18)28-16-27-21/h2-13H,14-16H2,1H3,(H,24,29)