N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C26H19ClN2O4S MolecularWeight: 490.95806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

InChI

InChI=1S/C26H19ClN2O4S/c1-32-19-10-6-16(7-11-19)8-13-24(30)29-26(34)28-18-9-12-20(22(27)15-18)21-14-17-4-2-3-5-23(17)33-25(21)31/h2-15H,1H3,(H2,28,29,30,34)