methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(piperonyloylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H15N3O5S2/c1-8-5-10(15(21)22-2)14(26-8)17-16(25)19-18-13(20)9-3-4-11-12(6-9)24-7-23-11/h3-6H,7H2,1-2H3,(H,18,20)(H2,17,19,25)