6-[3-(3-methylbutyl)-2-(4-morpholin-4-ylsulfonylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(3-methylbutyl)-2-(4-morpholin-4-ylsulfonylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-isopentyl-2-(4-morpholinosulfonylphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(3-methylbutyl)-2-[4-(4-morpholinylsulfonyl)phenyl]imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(3-methylbutyl)-2-(4-morpholin-4-ylsulfonylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-isoamyl-2-(4-morpholinosulfonylphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C26H30N4O5S2 MolecularWeight: 542.6702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC(C)CCN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C26H30N4O5S2/c1-18(2)9-10-30-23(19-3-8-24-22(15-19)28-25(31)16-35-24)17-36-26(30)27-20-4-6-21(7-5-20)37(32,33)29-11-13-34-14-12-29/h3-8,15,17-18H,9-14,16H2,1-2H3,(H,28,31)