N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(phenoxymethyl)benzofuran-2-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-(phenoxymethyl)-2-benzofurancarboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-(phenoxymethyl)coumarilamide Formula: C30H25NO3S MolecularWeight: 479.5894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C30H25NO3S/c1-20-12-13-21(2)28(18-20)35-24-16-14-22(15-17-24)31-30(32)29-26(19-33-23-8-4-3-5-9-23)25-10-6-7-11-27(25)34-29/h3-18H,19H2,1-2H3,(H,31,32)