2-azanyl-5-(5-bromanyl-3-oxidanyl-2-oxidanylidene-1-phenethyl-indol-3-yl)-1,3-thiazol-4-one

Systemtic Name: 2-azanyl-5-(5-bromanyl-3-oxidanyl-2-oxidanylidene-1-phenethyl-indol-3-yl)-1,3-thiazol-4-one Openeye Name: 2-amino-5-(5-bromo-3-hydroxy-2-oxo-1-phenethyl-indolin-3-yl)thiazol-4-one CAS Name: 2-amino-5-(5-bromo-3-hydroxy-2-oxo-1-phenethyl-3-indolyl)-4-thiazolone IUPAC Name: 2-amino-5-(5-bromo-3-hydroxy-2-oxo-1-phenethylindol-3-yl)-1,3-thiazol-4-one Traditional Name: 2-amino-5-(5-bromo-3-hydroxy-2-keto-1-phenethyl-indolin-3-yl)-2-thiazolin-4-one Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)Br)C(C2=O)(C4C(=O)N=C(S4)N)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)Br)C(C2=O)(C4C(=O)N=C(S4)N)O

InChI

InChI=1S/C19H16BrN3O3S/c20-12-6-7-14-13(10-12)19(26,15-16(24)22-18(21)27-15)17(25)23(14)9-8-11-4-2-1-3-5-11/h1-7,10,15,26H,8-9H2,(H2,21,22,24)