3-(1,3-benzodioxol-5-ylmethyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(3-imidazol-1-ylpropyl)-1-(p-tolylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[3-(1-imidazolyl)propyl]-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-1-(4-methylbenzyl)-3-piperonyl-thiourea Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O2S/c1-18-3-5-19(6-4-18)15-27(11-2-10-26-12-9-24-16-26)23(30)25-14-20-7-8-21-22(13-20)29-17-28-21/h3-9,12-13,16H,2,10-11,14-15,17H2,1H3,(H,25,30)