methyl 1-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H24N4O4S/c1-10-14-12(20-21-18(19)27)4-3-5-13(14)26-15(10)16(23)22-8-6-11(7-9-22)17(24)25-2/h11H,3-9H2,1-2H3,(H3,19,21,27)/b20-12+