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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-furamide Formula: C29H21ClN2O5S MolecularWeight: 545.00544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C4=CC5=CC=CC=C5OC4=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C4=CC5=CC=CC=C5OC4=O)OC)Cl

InChI

InChI=1S/C29H21ClN2O5S/c1-16-7-8-19(14-21(16)30)24-11-12-26(36-24)27(33)32-29(38)31-22-15-17(9-10-25(22)35-2)20-13-18-5-3-4-6-23(18)37-28(20)34/h3-15H,1-2H3,(H2,31,32,33,38)