(E)-N-[(1-oxidanylidene-3H-2-benzofuran-5-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(1-oxidanylidene-3H-2-benzofuran-5-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[(1-oxo-3H-isobenzofuran-5-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[(1-oxo-3H-isobenzofuran-5-yl)amino]-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[(1-oxo-3H-2-benzofuran-5-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[(1-ketophthalan-5-yl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)OC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)OC3

InChI

InChI=1S/C21H20N2O3S/c1-13(2)15-6-3-14(4-7-15)5-10-19(24)23-21(27)22-17-8-9-18-16(11-17)12-26-20(18)25/h3-11,13H,12H2,1-2H3,(H2,22,23,24,27)/b10-5+