3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(p-tolyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(4-methylphenyl)thiourea Traditional Name: 1-benzyl-3-piperonyl-1-(p-tolyl)thiourea Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O2S/c1-17-7-10-20(11-8-17)25(15-18-5-3-2-4-6-18)23(28)24-14-19-9-12-21-22(13-19)27-16-26-21/h2-13H,14-16H2,1H3,(H,24,28)