S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazine-1-carbothioate

Systemtic Name: S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazine-1-carbothioate Openeye Name: S-[(4-phenylthiazol-2-yl)amino] 4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazine-1-carbothioate CAS Name: 4-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-1-piperazinecarbothioic acid S-[(4-phenyl-2-thiazolyl)amino] ester IUPAC Name: S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazine-1-carbothioate Traditional Name: 4-(4,6-dipyrrolidino-s-triazin-2-yl)piperazine-1-carbothioic acid S-[(4-phenylthiazol-2-yl)amino] ester Formula: C25H31N9OS2 MolecularWeight: 537.70334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)SNC4=NC(=CS4)C5=CC=CC=C5)N6CCCC6

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N3CCN(CC3)C(=O)SNC4=NC(=CS4)C5=CC=CC=C5)N6CCCC6

InChI

InChI=1S/C25H31N9OS2/c35-25(37-30-24-26-20(18-36-24)19-8-2-1-3-9-19)34-16-14-33(15-17-34)23-28-21(31-10-4-5-11-31)27-22(29-23)32-12-6-7-13-32/h1-3,8-9,18H,4-7,10-17H2,(H,26,30)