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

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-2-[1-azanyl-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-amino-2-(4-benzyloxyphenyl)ethyl]-N-(3-amino-3-oxo-propyl)thiazole-4-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-4-thiazolecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-2-[1-amino-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-2-(4-benzoxyphenyl)ethyl]-N-(3-amino-3-keto-propyl)thiazole-4-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)NCCC(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c23-18(22-26-19(14-30-22)21(28)25-11-10-20(24)27)12-15-6-8-17(9-7-15)29-13-16-4-2-1-3-5-16/h1-9,14,18H,10-13,23H2,(H2,24,27)(H,25,28)