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

Systemtic Name: 3-chloranyl-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C26H22ClN3O2S2 MolecularWeight: 508.05478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C26H22ClN3O2S2/c1-30(26(33)29-25(32)23-22(27)19-12-6-8-14-21(19)34-23)20-13-7-5-11-18(20)24(31)28-16-15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,28,31)(H,29,32,33)