N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C25H19ClN2O4S MolecularWeight: 478.94736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

InChI

InChI=1S/C25H19ClN2O4S/c1-2-31-18-10-7-15(8-11-18)23(29)28-25(33)27-17-9-12-19(21(26)14-17)20-13-16-5-3-4-6-22(16)32-24(20)30/h3-14H,2H2,1H3,(H2,27,28,29,33)