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

Systemtic Name: [4-azanyl-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: [4-amino-6-(2-naphthylamino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [4-amino-6-(2-naphthalenylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [4-amino-6-(2-naphthylamino)-s-triazin-2-yl]methyl ester Formula: C25H25N7S2 MolecularWeight: 487.6429

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=NC(=NC(=N3)NC4=CC5=CC=CC=C5C=C4)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=NC(=NC(=N3)NC4=CC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C25H25N7S2/c26-23-28-22(29-24(30-23)27-20-11-10-18-6-4-5-7-19(18)16-20)17-34-25(33)32-14-12-31(13-15-32)21-8-2-1-3-9-21/h1-11,16H,12-15,17H2,(H3,26,27,28,29,30)