2-(azepan-1-yl)-5-(7-bromanyl-5-methyl-2-oxidanylidene-1H-indol-3-ylidene)-1,3-thiazol-4-one

Systemtic Name: 2-(azepan-1-yl)-5-(7-bromanyl-5-methyl-2-oxidanylidene-1H-indol-3-ylidene)-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-(7-bromo-5-methyl-2-oxo-indolin-3-ylidene)thiazol-4-one CAS Name: 2-(1-azepanyl)-5-(7-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-(7-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-(7-bromo-2-keto-5-methyl-indolin-3-ylidene)-2-thiazolin-4-one Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C3C(=O)N=C(S3)N4CCCCCC4)C(=O)N2)Br

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C3C(=O)N=C(S3)N4CCCCCC4)C(=O)N2)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-10-8-11-13(16(23)20-14(11)12(19)9-10)15-17(24)21-18(25-15)22-6-4-2-3-5-7-22/h8-9H,2-7H2,1H3,(H,20,23)