[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamate CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]carbamic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C30H30N4O2S MolecularWeight: 510.6498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC

InChI

InChI=1S/C30H30N4O2S/c1-20(2)22-13-9-14-23(17-22)30(3,4)34-29(35)36-25-16-10-15-24(18-25)31-27-19-26(32-28(33-27)37-5)21-11-7-6-8-12-21/h6-19H,1H2,2-5H3,(H,34,35)(H,31,32,33)