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

Systemtic Name: 3-butoxy-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]benzamide Formula: C27H23ClN2O4S MolecularWeight: 507.00052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

InChI

InChI=1S/C27H23ClN2O4S/c1-2-3-13-33-20-9-6-8-18(14-20)25(31)30-27(35)29-19-11-12-21(23(28)16-19)22-15-17-7-4-5-10-24(17)34-26(22)32/h4-12,14-16H,2-3,13H2,1H3,(H2,29,30,31,35)