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

Systemtic Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]benzamide CAS Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)OC

InChI

InChI=1S/C29H31N3O4S/c1-17(2)16-35-22-8-6-7-20(13-22)27(33)32-29(37)31-23-15-21(10-11-25(23)34-5)28-30-24-14-19(18(3)4)9-12-26(24)36-28/h6-15,17-18H,16H2,1-5H3,(H2,31,32,33,37)