5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-2-[(4-butylphenyl)amino]-1,3-thiazol-4-one

Systemtic Name: 5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-2-[(4-butylphenyl)amino]-1,3-thiazol-4-one Openeye Name: 5-(5-bromo-2-oxo-indolin-3-ylidene)-2-(4-butylanilino)thiazol-4-one CAS Name: 5-(5-bromo-2-oxo-1H-indol-3-ylidene)-2-(4-butylanilino)-4-thiazolone IUPAC Name: 5-(5-bromo-2-oxo-1H-indol-3-ylidene)-2-(4-butylanilino)-1,3-thiazol-4-one Traditional Name: 5-(5-bromo-2-keto-indolin-3-ylidene)-2-(4-butylanilino)-2-thiazolin-4-one Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=O)C(=C3C4=C(C=CC(=C4)Br)NC3=O)S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=O)C(=C3C4=C(C=CC(=C4)Br)NC3=O)S2

InChI

InChI=1S/C21H18BrN3O2S/c1-2-3-4-12-5-8-14(9-6-12)23-21-25-20(27)18(28-21)17-15-11-13(22)7-10-16(15)24-19(17)26/h5-11H,2-4H2,1H3,(H,24,26)(H,23,25,27)