3-chloranyl-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H18ClN3O3S2/c22-17-14-6-2-4-8-16(14)30-18(17)19(26)24-21(29)23-15-7-3-1-5-13(15)20(27)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,26,29)