[4-azanyl-6-[(4-ethoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [4-azanyl-6-[(4-ethoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: [4-amino-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [4-amino-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [4-amino-6-(p-phenetidino)-s-triazin-2-yl]methyl ester Formula: C23H27N7OS2 MolecularWeight: 481.63678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N7OS2/c1-2-31-19-10-8-17(9-11-19)25-22-27-20(26-21(24)28-22)16-33-23(32)30-14-12-29(13-15-30)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H3,24,25,26,27,28)