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

Systemtic Name: S-propyl 1-[4-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperidine-4-carbothioate Openeye Name: S-propyl 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-propyl ester IUPAC Name: S-propyl 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-propyl ester Formula: C26H31N5O3S2 MolecularWeight: 525.68604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O3S2/c1-3-18-35-25(32)20-13-16-31(17-14-20)23-10-8-21(9-11-23)28-26-27-15-12-24(29-26)19-4-6-22(7-5-19)30-36(2,33)34/h4-12,15,20,30H,3,13-14,16-18H2,1-2H3,(H,27,28,29)