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

Systemtic Name: N-[4-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C26H19ClN4O5S MolecularWeight: 534.97086

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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)[N+](=O)[O-])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)[N+](=O)[O-])NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H19ClN4O5S/c1-15-12-18(8-10-20(15)29-25(33)23-14-17-4-2-3-5-22(17)36-23)28-26(37)30-24(32)11-7-16-6-9-19(27)21(13-16)31(34)35/h2-14H,1H3,(H,29,33)(H2,28,30,32,37)/b11-7+