N-[4-[(3-butoxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(3-butoxyphenyl)carbonylcarbamothioylamino]-2-chloranyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[(3-butoxybenzoyl)carbamothioylamino]-2-chloro-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-furancarboxamide IUPAC Name: N-[4-[(3-butoxybenzoyl)carbamothioylamino]-2-chlorophenyl]furan-2-carboxamide Traditional Name: N-[4-[(3-butoxybenzoyl)thiocarbamoylamino]-2-chloro-phenyl]-2-furamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O4S/c1-2-3-11-30-17-7-4-6-15(13-17)21(28)27-23(32)25-16-9-10-19(18(24)14-16)26-22(29)20-8-5-12-31-20/h4-10,12-14H,2-3,11H2,1H3,(H,26,29)(H2,25,27,28,32)