3-(3,3-dimethylbutan-2-ylamino)-4-[(4-methylsulfanylphenyl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3,3-dimethylbutan-2-ylamino)-4-[(4-methylsulfanylphenyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-methylsulfanylanilino)-4-(1,2,2-trimethylpropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(3,3-dimethylbutan-2-ylamino)-4-[4-(methylthio)anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3,3-dimethylbutan-2-ylamino)-4-(4-methylsulfanylanilino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[4-(methylthio)anilino]-4-(1,2,2-trimethylpropylamino)cyclobut-3-ene-1,2-quinone Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC1=C(C(=O)C1=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C(C)(C)C)NC1=C(C(=O)C1=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H22N2O2S/c1-10(17(2,3)4)18-13-14(16(21)15(13)20)19-11-6-8-12(22-5)9-7-11/h6-10,18-19H,1-5H3