2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-[(4-pyrrolidin-1-ylphenyl)amino]-1,2-thiazol-3-one

Systemtic Name: 2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-[(4-pyrrolidin-1-ylphenyl)amino]-1,2-thiazol-3-one Openeye Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-(4-pyrrolidin-1-ylanilino)isothiazol-3-one CAS Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-[4-(1-pyrrolidinyl)anilino]-3-isothiazolone IUPAC Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-(4-pyrrolidin-1-ylanilino)-1,2-thiazol-3-one Traditional Name: 2-tert-butyl-1,1-diketo-5-phenyl-4-(4-pyrrolidinoanilino)isothiazol-3-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)26-22(27)20(21(30(26,28)29)17-9-5-4-6-10-17)24-18-11-13-19(14-12-18)25-15-7-8-16-25/h4-6,9-14,24H,7-8,15-16H2,1-3H3