2-(1-azanyl-3-methylsulfanyl-propyl)-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1-azanyl-3-methylsulfanyl-propyl)-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-(4-benzyloxyphenyl)thiazole-4-carboxamide CAS Name: 2-[1-amino-3-(methylthio)propyl]-N-(4-phenylmethoxyphenyl)-4-thiazolecarboxamide IUPAC Name: 2-(1-amino-3-methylsulfanylpropyl)-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-(4-benzoxyphenyl)thiazole-4-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC(=CS1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)N

Isomeric SMILES

CSCCC(C1=NC(=CS1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N3O2S2/c1-27-12-11-18(22)21-24-19(14-28-21)20(25)23-16-7-9-17(10-8-16)26-13-15-5-3-2-4-6-15/h2-10,14,18H,11-13,22H2,1H3,(H,23,25)