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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(4-ethoxybenzyl)-1-(3-imidazol-1-ylpropyl)-3-piperonyl-thiourea Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N4O3S/c1-2-29-21-7-4-19(5-8-21)16-28(12-3-11-27-13-10-25-17-27)24(32)26-15-20-6-9-22-23(14-20)31-18-30-22/h4-10,13-14,17H,2-3,11-12,15-16,18H2,1H3,(H,26,32)