N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(2-keto-1,3-benzoxazol-3-yl)acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)CN2C3=CC=CC=C3OC2=O)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)CN2C3=CC=CC=C3OC2=O)C4=CSC=C4

InChI

InChI=1S/C21H25N3O3S/c25-20(14-24-17-7-3-4-8-19(17)27-21(24)26)22-13-18(16-9-12-28-15-16)23-10-5-1-2-6-11-23/h3-4,7-9,12,15,18H,1-2,5-6,10-11,13-14H2,(H,22,25)