O-[4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate

Systemtic Name: O-[4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Openeye Name: O-[4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[4-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester IUPAC Name: O-[4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[4-[[2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl] ester Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(CCC2)C(=N1)NC3=CC=C(C=C3)OC(=S)NC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=C(CCC2)C(=N1)NC3=CC=C(C=C3)OC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS2/c1-28-20-24-18-9-5-8-17(18)19(25-20)22-15-10-12-16(13-11-15)26-21(27)23-14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,27)(H,22,24,25)