3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]-1-methylthiourea Traditional Name: 1-(4-tert-butylbenzyl)-1-methyl-3-piperonyl-thiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O2S/c1-21(2,3)17-8-5-15(6-9-17)13-23(4)20(26)22-12-16-7-10-18-19(11-16)25-14-24-18/h5-11H,12-14H2,1-4H3,(H,22,26)