N-[3-[(5-bromanyl-2-butoxy-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(5-bromanyl-2-butoxy-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(5-bromo-2-butoxy-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(5-bromo-2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(5-bromo-2-butoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(5-bromo-2-butoxy-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C23H22BrN3O4S MolecularWeight: 516.40748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H22BrN3O4S/c1-2-3-11-30-19-10-9-15(24)13-18(19)21(28)27-23(32)26-17-7-4-6-16(14-17)25-22(29)20-8-5-12-31-20/h4-10,12-14H,2-3,11H2,1H3,(H,25,29)(H2,26,27,28,32)