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

Systemtic Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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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)OC)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)OC)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H23N3O4S/c1-17-15-20(28-27(35)30-25(31)14-9-18-7-11-21(33-2)12-8-18)10-13-22(17)29-26(32)24-16-19-5-3-4-6-23(19)34-24/h3-16H,1-2H3,(H,29,32)(H2,28,30,31,35)/b14-9+