S-ethyl 1-[4-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carbothioate

Systemtic Name: S-ethyl 1-[4-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carbothioate Openeye Name: S-ethyl 1-[4-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carbothioate CAS Name: 1-[4-[[4-[4-(methanesulfonamido)phenyl]-2-pyrimidinyl]amino]phenyl]-4-piperidinecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 1-[4-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carbothioate Traditional Name: 1-[4-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carbothioic acid S-ethyl ester Formula: C25H29N5O3S2 MolecularWeight: 511.65946

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CCSC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C25H29N5O3S2/c1-3-34-24(31)19-13-16-30(17-14-19)22-10-8-20(9-11-22)27-25-26-15-12-23(28-25)18-4-6-21(7-5-18)29-35(2,32)33/h4-12,15,19,29H,3,13-14,16-17H2,1-2H3,(H,26,27,28)