4-[bis(3-methylbutyl)amino]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[bis(3-methylbutyl)amino]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-4-(diisopentylamino)-3-oxo-butanenitrile CAS Name: 4-[bis(3-methylbutyl)amino]-2-[4-(4-bromophenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-[bis(3-methylbutyl)amino]-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-4-(diisoamylamino)-3-keto-butyronitrile Formula: C23H30BrN3OS MolecularWeight: 476.4728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCN(CCC(C)C)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C23H30BrN3OS/c1-16(2)9-11-27(12-10-17(3)4)14-22(28)20(13-25)23-26-21(15-29-23)18-5-7-19(24)8-6-18/h5-8,15-17,20H,9-12,14H2,1-4H3