3-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-propan-2-yl-6-(2-thiophen-3-ylethyl)oxane-2,4-dione

Systemtic Name: 3-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-propan-2-yl-6-(2-thiophen-3-ylethyl)oxane-2,4-dione Openeye Name: 3-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-isopropyl-6-[2-(3-thienyl)ethyl]tetrahydropyran-2,4-dione CAS Name: 3-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-propan-2-yl-6-[2-(3-thiophenyl)ethyl]oxane-2,4-dione IUPAC Name: 3-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-propan-2-yl-6-(2-thiophen-3-ylethyl)oxane-2,4-dione Traditional Name: 3-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-isopropyl-6-[2-(3-thienyl)ethyl]tetrahydropyran-2,4-quinone Formula: C25H33NO3S2 MolecularWeight: 459.66442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2C(=O)CC(OC2=O)(CCC3=CSC=C3)C(C)C)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2C(=O)CC(OC2=O)(CCC3=CSC=C3)C(C)C)C(C)(C)C)N

InChI

InChI=1S/C25H33NO3S2/c1-15(2)25(9-7-17-8-10-30-14-17)13-20(27)22(23(28)29-25)31-21-11-16(3)19(26)12-18(21)24(4,5)6/h8,10-12,14-15,22H,7,9,13,26H2,1-6H3