N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C29H27ClN2O6S MolecularWeight: 567.05248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

InChI

InChI=1S/C29H27ClN2O6S/c1-4-35-24-14-18(15-25(36-5-2)26(24)37-6-3)27(33)32-29(39)31-19-11-12-20(22(30)16-19)21-13-17-9-7-8-10-23(17)38-28(21)34/h7-16H,4-6H2,1-3H3,(H2,31,32,33,39)