N-[4-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-2-methoxy-phenyl]coumarilamide Formula: C29H22BrN3O5S MolecularWeight: 604.47108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H22BrN3O5S/c1-36-23-15-18(11-12-21(23)32-28(35)24-14-17-8-4-6-10-22(17)38-24)31-29(39)33-27(34)20-13-16-7-3-5-9-19(16)25(30)26(20)37-2/h3-15H,1-2H3,(H,32,35)(H2,31,33,34,39)