3-[(7R)-7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione

Systemtic Name: 3-[(7R)-7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione Openeye Name: 3-[(7R)-7-(2-hydroxyphenyl)-3-thioxo-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-dione CAS Name: 3-[(7R)-7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,4-triazepan-5-ylidene]-1-methylquinoline-2,4-dione IUPAC Name: 3-[(7R)-7-(2-hydroxyphenyl)-3-sulfanylidene-1,2,4-triazepan-5-ylidene]-1-methylquinoline-2,4-dione Traditional Name: 3-[(7R)-7-(2-hydroxyphenyl)-3-thioxo-1,2,4-triazepan-5-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3CC(NNC(=S)N3)C4=CC=CC=C4O)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C3C[C@@H](NNC(=S)N3)C4=CC=CC=C4O)C1=O

InChI

InChI=1S/C20H18N4O3S/c1-24-15-8-4-2-7-12(15)18(26)17(19(24)27)14-10-13(22-23-20(28)21-14)11-6-3-5-9-16(11)25/h2-9,13,22,25H,10H2,1H3,(H2,21,23,28)/t13-/m1/s1