methyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methyl-benzoate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methyl-benzoate CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(1,3-benzodioxol-5-ylthiocarbamoylamino)-4-methyl-benzoic acid methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O4S/c1-10-3-4-11(16(20)21-2)7-13(10)19-17(24)18-12-5-6-14-15(8-12)23-9-22-14/h3-8H,9H2,1-2H3,(H2,18,19,24)