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

Systemtic Name: N-[2-methyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]coumarilamide Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[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(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H20N4O5S/c1-16-13-19(10-11-21(16)28-25(32)23-15-18-6-2-3-8-22(18)35-23)27-26(36)29-24(31)12-9-17-5-4-7-20(14-17)30(33)34/h2-15H,1H3,(H,28,32)(H2,27,29,31,36)/b12-9+