5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-oxidanylideneazepan-3-yl)furan-2-carboxamide

Systemtic Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-oxidanylideneazepan-3-yl)furan-2-carboxamide Openeye Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-oxoazepan-3-yl)furan-2-carboxamide CAS Name: 5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(2-oxo-3-azepanyl)-2-furancarboxamide IUPAC Name: 5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-oxoazepan-3-yl)furan-2-carboxamide Traditional Name: N-(2-ketoazepan-3-yl)-5-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-2-furamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NC4CCCCNC4=O

InChI

InChI=1S/C20H21N3O4S/c1-12-5-4-7-15-17(12)23-20(27-15)28-11-13-8-9-16(26-13)19(25)22-14-6-2-3-10-21-18(14)24/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(H,21,24)(H,22,25)