N-(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)-2-[1-azanyl-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)-2-[1-azanyl-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-amino-2-(4-benzyloxyphenyl)ethyl]-N-[2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]thiazole-4-carboxamide CAS Name: N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-4-thiazolecarboxamide IUPAC Name: N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-2-(4-benzoxyphenyl)ethyl]-N-[2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]thiazole-4-carboxamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2=CSC(=N2)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)N

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N)NC(=O)C2=CSC(=N2)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)N

InChI

InChI=1S/C28H34N4O3S/c29-23(15-20-11-13-22(14-12-20)35-17-21-9-5-2-6-10-21)28-32-25(18-36-28)27(34)31-24(26(30)33)16-19-7-3-1-4-8-19/h2,5-6,9-14,18-19,23-24H,1,3-4,7-8,15-17,29H2,(H2,30,33)(H,31,34)