N-(4-cyclopentylsulfanylphenyl)-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[4-(cyclopentylthio)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H24N2O3S/c25-21(13-14-24-19-7-3-4-8-20(19)27-15-22(24)26)23-16-9-11-18(12-10-16)28-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-15H2,(H,23,25)