5-chloranyl-3-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-chloro-3-methyl-benzothiophene-2-carboxamide CAS Name: 5-chloro-3-methyl-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-chloro-3-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-chloro-3-methyl-benzothiophene-2-carboxamide Formula: C24H19ClN2O2S2 MolecularWeight: 467.00286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H19ClN2O2S2/c1-15-20-12-17(25)10-11-21(20)31-22(15)23(28)27-24(30)26-18-8-5-9-19(13-18)29-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,26,27,28,30)