N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-5-(3-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-5-(3-chlorophenyl)-2-furamide Formula: C29H26ClN3O3S MolecularWeight: 532.05304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H26ClN3O3S/c1-29(2,3)20-12-10-18(11-13-20)26(34)31-22-8-5-9-23(17-22)32-28(37)33-27(35)25-15-14-24(36-25)19-6-4-7-21(30)16-19/h4-17H,1-3H3,(H,31,34)(H2,32,33,35,37)