N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C27H22BrN3O4S MolecularWeight: 564.45028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrN3O4S/c1-16-13-20(9-10-21(16)30-26(33)24-15-17-5-3-4-6-23(17)35-24)29-27(36)31-25(32)12-7-18-14-19(28)8-11-22(18)34-2/h3-15H,1-2H3,(H,30,33)(H2,29,31,32,36)/b12-7+