N-[4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-chloranyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-chloranyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]-2-chloro-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-furancarboxamide IUPAC Name: N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]-2-chlorophenyl]furan-2-carboxamide Traditional Name: N-[4-[(4-tert-butylbenzoyl)thiocarbamoylamino]-2-chloro-phenyl]-2-furamide Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O3S/c1-23(2,3)15-8-6-14(7-9-15)20(28)27-22(31)25-16-10-11-18(17(24)13-16)26-21(29)19-5-4-12-30-19/h4-13H,1-3H3,(H,26,29)(H2,25,27,28,31)