3-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)-1-methyl-thiourea Openeye Name: 1-benzhydryl-3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)-1-methylthiourea IUPAC Name: 1-benzhydryl-3-(1,3-benzodioxol-5-ylmethyl)-1-methylthiourea Traditional Name: 1-benzhydryl-1-methyl-3-piperonyl-thiourea Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

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