(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethylphenyl)propanamide

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-(1,3-benzothiazol-2-ylthio)-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-(1,3-benzothiazol-2-ylthio)-N-(4-ethylphenyl)propionamide Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2OS2/c1-3-13-8-10-14(11-9-13)19-17(21)12(2)22-18-20-15-6-4-5-7-16(15)23-18/h4-12H,3H2,1-2H3,(H,19,21)/t12-/m0/s1