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

Systemtic Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC(=CC=C4)OCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC(=CC=C4)OCC(C)C

InChI

InChI=1S/C27H27N3O4S/c1-16(2)15-33-21-7-5-6-18(12-21)25(31)30-27(35)29-22-13-19(9-8-17(22)3)26-28-23-14-20(32-4)10-11-24(23)34-26/h5-14,16H,15H2,1-4H3,(H2,29,30,31,35)