N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O4S/c1-3-13-32-21-9-6-8-20(14-21)25(30)29-27(34)28-23-16-18(12-11-17(23)2)22-15-19-7-4-5-10-24(19)33-26(22)31/h4-12,14-16H,3,13H2,1-2H3,(H2,28,29,30,34)