[4-azanyl-6-[(4-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [4-azanyl-6-[(4-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [4-amino-6-(4-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C18H26N7S2+ MolecularWeight: 404.57594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N7S2/c1-3-13-4-6-14(7-5-13)20-17-22-15(21-16(19)23-17)12-27-18(26)25-10-8-24(2)9-11-25/h4-7H,3,8-12H2,1-2H3,(H3,19,20,21,22,23)/p+1