S-[(4-pyridin-3-yl-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-pyridin-3-yl-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-(3-pyridyl)thiazol-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-(3-pyridinyl)-2-thiazolyl]amino] ester IUPAC Name: S-[(4-pyridin-3-yl-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-(3-pyridyl)thiazol-2-yl]amino] ester Formula: C24H30N10OS2 MolecularWeight: 538.6914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N10OS2/c35-24(37-30-23-26-19(17-36-23)18-6-5-7-25-16-18)34-14-12-33(13-15-34)22-28-20(31-8-1-2-9-31)27-21(29-22)32-10-3-4-11-32/h5-7,16-17H,1-4,8-15H2,(H,26,30)