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

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)C2=CC3=CC=CC=C3OC2=O)Cl

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC(=C(C=C1)C2=CC3=CC=CC=C3OC2=O)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-11(2)18(24)23-20(27)22-13-7-8-14(16(21)10-13)15-9-12-5-3-4-6-17(12)26-19(15)25/h3-11H,1-2H3,(H2,22,23,24,27)