1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butyl-2-methyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butyl-2-methyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butyl-2-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butyl-2-methylphenyl)thiourea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-piperonyl-thiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H24N2O2S/c1-3-4-5-15-6-8-17(14(2)10-15)22-20(25)21-12-16-7-9-18-19(11-16)24-13-23-18/h6-11H,3-5,12-13H2,1-2H3,(H2,21,22,25)