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

Systemtic Name: N-(1-azanyl-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-methyl-2-oxo-ethyl)thiazole-4-carboxamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-4-thiazolecarboxamide IUPAC Name: N-(1-amino-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-2-keto-1-methyl-ethyl)thiazole-4-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CSC(=N1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N)NC(=O)C1=CSC(=N1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N

InChI

InChI=1S/C22H24N4O3S/c1-14(20(24)27)25-21(28)19-13-30-22(26-19)18(23)11-15-7-9-17(10-8-15)29-12-16-5-3-2-4-6-16/h2-10,13-14,18H,11-12,23H2,1H3,(H2,24,27)(H,25,28)