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

Systemtic Name: N-(2-azanylethyl)-2-[1-azanyl-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-amino-2-(4-benzyloxyphenyl)ethyl]-N-(2-aminoethyl)thiazole-4-carboxamide CAS Name: N-(2-aminoethyl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-4-thiazolecarboxamide IUPAC Name: N-(2-aminoethyl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-2-(4-benzoxyphenyl)ethyl]-N-(2-aminoethyl)thiazole-4-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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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)NCCN)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c22-10-11-24-20(26)19-14-28-21(25-19)18(23)12-15-6-8-17(9-7-15)27-13-16-4-2-1-3-5-16/h1-9,14,18H,10-13,22-23H2,(H,24,26)