1-methyl-3-[(7R)-3-oxidanylidene-7-thiophen-2-yl-1,2,4-triazepan-5-ylidene]quinoline-2,4-dione

Systemtic Name: 1-methyl-3-[(7R)-3-oxidanylidene-7-thiophen-2-yl-1,2,4-triazepan-5-ylidene]quinoline-2,4-dione Openeye Name: 1-methyl-3-[(7R)-3-oxo-7-(2-thienyl)-1,2,4-triazepan-5-ylidene]quinoline-2,4-dione CAS Name: 1-methyl-3-[(7R)-3-oxo-7-thiophen-2-yl-1,2,4-triazepan-5-ylidene]quinoline-2,4-dione IUPAC Name: 1-methyl-3-[(7R)-3-oxo-7-thiophen-2-yl-1,2,4-triazepan-5-ylidene]quinoline-2,4-dione Traditional Name: 3-[(7R)-3-keto-7-(2-thienyl)-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3CC(NNC(=O)N3)C4=CC=CS4)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C3C[C@@H](NNC(=O)N3)C4=CC=CS4)C1=O

InChI

InChI=1S/C18H16N4O3S/c1-22-13-6-3-2-5-10(13)16(23)15(17(22)24)12-9-11(14-7-4-8-26-14)20-21-18(25)19-12/h2-8,11,20H,9H2,1H3,(H2,19,21,25)/t11-/m1/s1