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

Systemtic Name: S-[[4-(4-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Openeye Name: S-[[4-(4-phenyl-2-thienyl)thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate CAS Name: 4-[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarbothioic acid S-[[4-(4-phenyl-2-thiophenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(4-phenylthiophen-2-yl)-1,3-thiazol-2-yl]amino] 4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carbothioate Traditional Name: 4-(2,6-dipyrrolidinopyrimidin-4-yl)piperazine-1-carbothioic acid S-[[4-(4-phenyl-2-thienyl)thiazol-2-yl]amino] ester Formula: C30H34N8OS3 MolecularWeight: 618.83896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)SNC5=NC(=CS5)C6=CC(=CS6)C7=CC=CC=C7

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)N4CCN(CC4)C(=O)SNC5=NC(=CS5)C6=CC(=CS6)C7=CC=CC=C7

InChI

InChI=1S/C30H34N8OS3/c39-30(42-34-29-31-24(21-41-29)25-18-23(20-40-25)22-8-2-1-3-9-22)38-16-14-36(15-17-38)27-19-26(35-10-4-5-11-35)32-28(33-27)37-12-6-7-13-37/h1-3,8-9,18-21H,4-7,10-17H2,(H,31,34)