[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-methyl-2-propan-2-yl-phenyl] 4-methylbenzoate

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-5-methyl-2-propan-2-yl-phenyl] 4-methylbenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-isopropyl-5-methyl-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-isopropyl-5-methyl-phenyl] ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2C(C)C)NC3=NS(=O)(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2C(C)C)NC3=NS(=O)(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H24N2O4S/c1-15(2)20-14-21(26-24-19-7-5-6-8-23(19)32(29,30)27-24)17(4)13-22(20)31-25(28)18-11-9-16(3)10-12-18/h5-15H,1-4H3,(H,26,27)