N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H16N2O3S2/c1-13-8-9-14(16-11-15-5-2-3-6-18(15)27-21(16)26)12-17(13)23-22(28)24-20(25)19-7-4-10-29-19/h2-12H,1H3,(H2,23,24,25,28)