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

Systemtic Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C26H20ClN3O3S MolecularWeight: 489.9733

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

InChI

InChI=1S/C26H20ClN3O3S/c1-16-14-20(28-26(34)30-24(31)13-8-17-6-9-19(27)10-7-17)11-12-21(16)29-25(32)23-15-18-4-2-3-5-22(18)33-23/h2-15H,1H3,(H,29,32)(H2,28,30,31,34)/b13-8+