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

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C30H22N2O4S MolecularWeight: 506.57168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H22N2O4S/c1-35-27-16-15-22(24-17-23-9-5-6-10-26(23)36-29(24)34)18-25(27)31-30(37)32-28(33)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-18H,1H3,(H2,31,32,33,37)