N-[[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methoxy-phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[2-methoxy-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methoxyanilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[5-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methoxyphenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[2-methoxy-5-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]benzamide Formula: C29H31N3O4S MolecularWeight: 517.63914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CC[C@H](C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)NC(=S)NC(=O)C4=CC(=CC=C4)OC(C)C

InChI

InChI=1S/C29H31N3O4S/c1-6-18(4)19-10-13-26-24(15-19)30-28(36-26)21-11-12-25(34-5)23(16-21)31-29(37)32-27(33)20-8-7-9-22(14-20)35-17(2)3/h7-18H,6H2,1-5H3,(H2,31,32,33,37)/t18-/m0/s1