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

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C26H21ClN2O4S MolecularWeight: 492.97394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

InChI

InChI=1S/C26H21ClN2O4S/c1-2-12-32-19-8-5-7-17(13-19)24(30)29-26(34)28-18-10-11-20(22(27)15-18)21-14-16-6-3-4-9-23(16)33-25(21)31/h3-11,13-15H,2,12H2,1H3,(H2,28,29,30,34)