5-(3-chloranyl-4-methyl-phenyl)-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-furamide Formula: C28H22ClN3O4S MolecularWeight: 532.00998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)Cl

InChI

InChI=1S/C28H22ClN3O4S/c1-15-4-6-17(12-20(15)29)23-10-11-25(35-23)26(33)32-28(37)31-21-13-18(7-5-16(21)2)27-30-22-14-19(34-3)8-9-24(22)36-27/h4-14H,1-3H3,(H2,31,32,33,37)