S-(1H-benzimidazol-2-yl) 2-azanyl-3-phenyl-propanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 2-azanyl-3-phenyl-propanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 2-amino-3-phenyl-propanethioate CAS Name: 2-amino-3-phenylpropanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 2-amino-3-phenylpropanethioate Traditional Name: 2-amino-3-phenyl-propanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=NC3=CC=CC=C3N2)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=NC3=CC=CC=C3N2)N

InChI

InChI=1S/C16H15N3OS/c17-12(10-11-6-2-1-3-7-11)15(20)21-16-18-13-8-4-5-9-14(13)19-16/h1-9,12H,10,17H2,(H,18,19)