3-(2-methylbutan-2-ylamino)-4-[(4-methylsulfanylphenyl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(2-methylbutan-2-ylamino)-4-[(4-methylsulfanylphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,1-dimethylpropylamino)-4-[(4-methylsulfanylphenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(2-methylbutan-2-ylamino)-4-[[4-(methylthio)phenyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(2-methylbutan-2-ylamino)-4-[(4-methylsulfanylphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(tert-amylamino)-4-[[4-(methylthio)benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H22N2O2S/c1-5-17(2,3)19-14-13(15(20)16(14)21)18-10-11-6-8-12(22-4)9-7-11/h6-9,18-19H,5,10H2,1-4H3