methyl 2-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[1,3-benzodioxol-5-ylmethyl(1-cyclohex-3-enylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclohex-3-en-1-ylmethyl(piperonyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H26N2O4S/c1-28-23(27)19-9-5-6-10-20(19)25-24(31)26(14-17-7-3-2-4-8-17)15-18-11-12-21-22(13-18)30-16-29-21/h2-3,5-6,9-13,17H,4,7-8,14-16H2,1H3,(H,25,31)