[4-azanyl-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methyl-carbamodithioate

Systemtic Name: [4-azanyl-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methyl-carbamodithioate Openeye Name: [4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methyl-carbamodithioate CAS Name: N-cyclohexyl-N-methylcarbamodithioic acid [4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-yl]methyl N-cyclohexyl-N-methylcarbamodithioate Traditional Name: N-cyclohexyl-N-methyl-carbamodithioic acid [4-amino-6-(3,4-dihydro-2H-quinolin-1-yl)-s-triazin-2-yl]methyl ester Formula: C21H28N6S2 MolecularWeight: 428.61722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=S)SCC2=NC(=NC(=N2)N)N3CCCC4=CC=CC=C43

Isomeric SMILES

CN(C1CCCCC1)C(=S)SCC2=NC(=NC(=N2)N)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H28N6S2/c1-26(16-10-3-2-4-11-16)21(28)29-14-18-23-19(22)25-20(24-18)27-13-7-9-15-8-5-6-12-17(15)27/h5-6,8,12,16H,2-4,7,9-11,13-14H2,1H3,(H2,22,23,24,25)