S-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino] piperazine-1-carbothioate

Systemtic Name: S-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino] piperazine-1-carbothioate Openeye Name: S-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-[4-(4-hydroxyphenyl)thiazol-2-yl]amino] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-[4-(4-hydroxyphenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[(2,6-dipyrrolidinopyrimidin-4-yl)-[4-(4-hydroxyphenyl)thiazol-2-yl]amino] ester Formula: C26H32N8O2S2 MolecularWeight: 552.71468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N(C4=NC(=CS4)C5=CC=C(C=C5)O)SC(=O)N6CCNCC6

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N(C4=NC(=CS4)C5=CC=C(C=C5)O)SC(=O)N6CCNCC6

InChI

InChI=1S/C26H32N8O2S2/c35-20-7-5-19(6-8-20)21-18-37-25(28-21)34(38-26(36)33-15-9-27-10-16-33)23-17-22(31-11-1-2-12-31)29-24(30-23)32-13-3-4-14-32/h5-8,17-18,27,35H,1-4,9-16H2