N-[2-methyl-4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methyl-4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-[[(E)-3-p-cumenylacryloyl]thiocarbamoylamino]phenyl]coumarilamide Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C(C)C)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C(C)C)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C29H27N3O3S/c1-18(2)21-11-8-20(9-12-21)10-15-27(33)32-29(36)30-23-13-14-24(19(3)16-23)31-28(34)26-17-22-6-4-5-7-25(22)35-26/h4-18H,1-3H3,(H,31,34)(H2,30,32,33,36)/b15-10+