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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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