N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methoxy]benzenecarbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methoxy]benzenecarbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(p-tolylmethoxy)benzenecarbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methoxy]benzenecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methoxy]benzenecarbothioamide Traditional Name: 2-(4-methylbenzyl)oxy-N-piperonyl-thiobenzamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC=C2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC=C2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO3S/c1-16-6-8-17(9-7-16)14-25-20-5-3-2-4-19(20)23(28)24-13-18-10-11-21-22(12-18)27-15-26-21/h2-12H,13-15H2,1H3,(H,24,28)