N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[3-methoxy-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[3-methoxy-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-(2-ketochromen-3-yl)-3-methoxy-phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)OC)C

InChI

InChI=1S/C26H22N2O4S/c1-15-10-16(2)12-18(11-15)24(29)28-26(33)27-19-8-9-20(23(14-19)31-3)21-13-17-6-4-5-7-22(17)32-25(21)30/h4-14H,1-3H3,(H2,27,28,29,33)