3-chloranyl-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H20ClN3O2S2/c1-29(25(32)28-24(31)22-21(26)18-12-6-8-14-20(18)33-22)19-13-7-5-11-17(19)23(30)27-15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,27,30)(H,28,31,32)