3-azanyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbonyl-4-oxidanylidene-chromene-2-carbothioamide

Systemtic Name: 3-azanyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbonyl-4-oxidanylidene-chromene-2-carbothioamide Openeye Name: 3-amino-5-(4-tert-butoxybenzoyl)-4-oxo-chromene-2-carbothioamide CAS Name: 3-amino-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-oxomethyl]-4-oxo-1-benzopyran-2-carbothioamide IUPAC Name: 3-amino-5-[4-[(2-methylpropan-2-yl)oxy]benzoyl]-4-oxochromene-2-carbothioamide Traditional Name: 3-amino-5-(4-tert-butoxybenzoyl)-4-keto-chromene-2-carbothioamide Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C(=S)N

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C(=S)N

InChI

InChI=1S/C21H20N2O4S/c1-21(2,3)27-12-9-7-11(8-10-12)17(24)13-5-4-6-14-15(13)18(25)16(22)19(26-14)20(23)28/h4-10H,22H2,1-3H3,(H2,23,28)