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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-2-[1-azanyl-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-amino-2-(4-benzyloxyphenyl)ethyl]-N-(2-amino-2-oxo-ethyl)thiazole-4-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-4-thiazolecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-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-ethyl)thiazole-4-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C3=NC(=CS3)C(=O)NCC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C3=NC(=CS3)C(=O)NCC(=O)N)N

InChI

InChI=1S/C21H22N4O3S/c22-17(21-25-18(13-29-21)20(27)24-11-19(23)26)10-14-6-8-16(9-7-14)28-12-15-4-2-1-3-5-15/h1-9,13,17H,10-12,22H2,(H2,23,26)(H,24,27)