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

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CCCN1C2=CC=CC=C2OC1=O)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)CCCN1C2=CC=CC=C2OC1=O)C3=CSC=C3

InChI

InChI=1S/C21H27N3O3S/c1-3-23(4-2)18(16-11-13-28-15-16)14-22-20(25)10-7-12-24-17-8-5-6-9-19(17)27-21(24)26/h5-6,8-9,11,13,15,18H,3-4,7,10,12,14H2,1-2H3,(H,22,25)