N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: 3-(4-isopropylphenyl)-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]prop-2-enamide CAS Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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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)C=CC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C=CC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H27N3O3S/c1-17(2)20-10-6-19(7-11-20)8-14-26(32)31-28(35)30-23-15-21(9-5-18(23)3)27-29-24-16-22(33-4)12-13-25(24)34-27/h5-17H,1-4H3,(H2,30,31,32,35)