ethyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[1,3-benzodioxol-5-ylmethyl(1-cyclohex-3-enylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclohex-3-en-1-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[cyclohex-3-en-1-ylmethyl(piperonyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N2O4S/c1-2-29-24(28)20-9-11-21(12-10-20)26-25(32)27(15-18-6-4-3-5-7-18)16-19-8-13-22-23(14-19)31-17-30-22/h3-4,8-14,18H,2,5-7,15-17H2,1H3,(H,26,32)