3-[[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-6-[2,2-dimethylpropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide

Systemtic Name: 3-[[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-6-[2,2-dimethylpropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide Openeye Name: 3-[[4-[2,2-dimethylpropyl(methyl)amino]-6-[(1,1-dioxothiolan-3-yl)amino]-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide CAS Name: 3-[[4-[2,2-dimethylpropyl(methyl)amino]-6-[(1,1-dioxo-3-thiolanyl)amino]-1,3,5-triazin-2-yl]amino]-4-methylbenzamide IUPAC Name: 3-[[4-[2,2-dimethylpropyl(methyl)amino]-6-[(1,1-dioxothiolan-3-yl)amino]-1,3,5-triazin-2-yl]amino]-4-methylbenzamide Traditional Name: 3-[[4-[(1,1-diketothiolan-3-yl)amino]-6-[methyl(neopentyl)amino]-s-triazin-2-yl]amino]-4-methyl-benzamide Formula: C21H31N7O3S MolecularWeight: 461.58094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)N(C)CC(C)(C)C)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)N(C)CC(C)(C)C)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C21H31N7O3S/c1-13-6-7-14(17(22)29)10-16(13)24-19-25-18(23-15-8-9-32(30,31)11-15)26-20(27-19)28(5)12-21(2,3)4/h6-7,10,15H,8-9,11-12H2,1-5H3,(H2,22,29)(H2,23,24,25,26,27)