1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-3-phenyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-3-phenylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-3-phenylthiourea Traditional Name: 1-p-anisyl-3-phenyl-1-piperonyl-thiourea Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4

InChI

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