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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H25N7S2 MolecularWeight: 451.6108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N7S2/c1-16-7-9-17(10-8-16)24-21-26-19(25-20(23)27-21)15-31-22(30)29-13-11-28(12-14-29)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H3,23,24,25,26,27)