4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-3-oxidanylidene-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-3-oxidanylidene-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-3-oxo-2-[4-(2-thienyl)thiazol-2-yl]butanenitrile CAS Name: 4-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxo-2-(4-thiophen-2-yl-2-thiazolyl)butanenitrile IUPAC Name: 4-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxo-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-3-keto-2-[4-(2-thienyl)thiazol-2-yl]butyronitrile Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(C)C)NCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CS3

InChI

InChI=1S/C23H25N3OS2/c1-4-16-7-9-17(10-8-16)22(15(2)3)25-13-20(27)18(12-24)23-26-19(14-29-23)21-6-5-11-28-21/h5-11,14-15,18,22,25H,4,13H2,1-3H3/t18?,22-/m1/s1