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

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C24H17ClN2O3S MolecularWeight: 448.92138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl

InChI

InChI=1S/C24H17ClN2O3S/c1-14-6-2-4-8-17(14)22(28)27-24(31)26-16-10-11-18(20(25)13-16)19-12-15-7-3-5-9-21(15)30-23(19)29/h2-13H,1H3,(H2,26,27,28,31)