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

Systemtic Name: N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C30H22N2O3S MolecularWeight: 490.57228

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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=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=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/C30H22N2O3S/c1-19-11-12-23(25-17-24-9-5-6-10-27(24)35-29(25)34)18-26(19)31-30(36)32-28(33)22-15-13-21(14-16-22)20-7-3-2-4-8-20/h2-18H,1H3,(H2,31,32,33,36)