methyl 2-[(furan-2-ylcarbonylamino)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(furan-2-ylcarbonylamino)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-furanyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-furoylamino)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)C3=CC=CO3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)C3=CC=CO3

InChI

InChI=1S/C17H19N3O4S2/c1-9-5-6-10-12(8-9)26-15(13(10)16(22)23-2)18-17(25)20-19-14(21)11-4-3-7-24-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,21)(H2,18,20,25)