4,4-dimethyl-6-[4-(4-phenylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-6-[4-(4-phenylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-[4-(4-phenylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-[(4-phenylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-[4-(4-phenylphenyl)sulfanylbutoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-[(4-phenylphenyl)thio]butoxy]-1H-3,1-benzoxazin-2-one Formula: C26H27NO3S MolecularWeight: 433.56248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)O1)C

InChI

InChI=1S/C26H27NO3S/c1-26(2)23-18-21(12-15-24(23)27-25(28)30-26)29-16-6-7-17-31-22-13-10-20(11-14-22)19-8-4-3-5-9-19/h3-5,8-15,18H,6-7,16-17H2,1-2H3,(H,27,28)