N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]benzamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O2S/c1-6-18(2)20-12-15-25-24(17-20)31-27(34-25)21-8-7-9-23(16-21)30-28(35)32-26(33)19-10-13-22(14-11-19)29(3,4)5/h7-18H,6H2,1-5H3,(H2,30,32,33,35)/t18-/m0/s1