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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCN2C3=CC=CC=C3OC2=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCN2C3=CC=CC=C3OC2=O)C#N

InChI

InChI=1S/C20H19N3O3S/c21-13-15-5-1-2-6-16(15)14-27-12-10-22-19(24)9-11-23-17-7-3-4-8-18(17)26-20(23)25/h1-8H,9-12,14H2,(H,22,24)