N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCCN2C3=CC=CC=C3OC2=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCCN2C3=CC=CC=C3OC2=O)C#N

InChI

InChI=1S/C21H21N3O3S/c22-14-16-6-1-2-7-17(16)15-28-13-11-23-20(25)10-5-12-24-18-8-3-4-9-19(18)27-21(24)26/h1-4,6-9H,5,10-13,15H2,(H,23,25)