methyl N-cyano-N'-[(5-methyl-7-oxidanylidene-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[(5-methyl-7-oxidanylidene-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]isothiourea CAS Name: N-cyano-N'-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(5-methyl-7-oxo-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]carbamimidothioate Traditional Name: 1-cyano-3-[(7-keto-5-methyl-3,6-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]-2-methyl-isothiourea Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C(=C1)CC(O3)CN=C(NC#N)SC)C=CC(=O)N2

Isomeric SMILES

CC1=C2C(=C3C(=C1)CC(O3)CN=C(NC#N)SC)C=CC(=O)N2

InChI

InChI=1S/C16H16N4O2S/c1-9-5-10-6-11(7-18-16(23-2)19-8-17)22-15(10)12-3-4-13(21)20-14(9)12/h3-5,11H,6-7H2,1-2H3,(H,18,19)(H,20,21)