N-[(2S)-4-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-4-oxidanylidene-1-phenyl-butan-2-yl]-N-methyl-cyclohexanecarboxamide

Systemtic Name: N-[(2S)-4-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-4-oxidanylidene-1-phenyl-butan-2-yl]-N-methyl-cyclohexanecarboxamide Openeye Name: N-[(1S)-3-[4-(2-aminothiazol-4-yl)anilino]-1-benzyl-3-oxo-propyl]-N-methyl-cyclohexanecarboxamide CAS Name: N-[(2S)-4-[4-(2-amino-4-thiazolyl)anilino]-4-oxo-1-phenylbutan-2-yl]-N-methylcyclohexanecarboxamide IUPAC Name: N-[(2S)-4-[4-(2-amino-1,3-thiazol-4-yl)anilino]-4-oxo-1-phenylbutan-2-yl]-N-methylcyclohexanecarboxamide Traditional Name: N-[(1S)-3-[4-(2-aminothiazol-4-yl)anilino]-1-benzyl-3-keto-propyl]-N-methyl-cyclohexanecarboxamide Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4CCCCC4

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4CCCCC4

InChI

InChI=1S/C27H32N4O2S/c1-31(26(33)21-10-6-3-7-11-21)23(16-19-8-4-2-5-9-19)17-25(32)29-22-14-12-20(13-15-22)24-18-34-27(28)30-24/h2,4-5,8-9,12-15,18,21,23H,3,6-7,10-11,16-17H2,1H3,(H2,28,30)(H,29,32)/t23-/m0/s1