3-methyl-N-[[2-(4-pentoxyphenyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-methyl-N-[[2-(4-pentoxyphenyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-methyl-N-[[2-(4-pentoxyphenyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-methyl-N-[[2-(4-pentoxyphenyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-methyl-N-[[2-(4-pentoxyphenyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(4-amoxyphenyl)phenyl]thiocarbamoyl]-3-methyl-benzothiophene-2-carboxamide Formula: C28H28N2O2S2 MolecularWeight: 488.66412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)C

InChI

InChI=1S/C28H28N2O2S2/c1-3-4-9-18-32-21-16-14-20(15-17-21)23-11-5-7-12-24(23)29-28(33)30-27(31)26-19(2)22-10-6-8-13-25(22)34-26/h5-8,10-17H,3-4,9,18H2,1-2H3,(H2,29,30,31,33)