3-chloranyl-N-[2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(2-morpholino-3-pyridyl)methylamino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[[2-(4-morpholinyl)-3-pyridinyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(2-morpholin-4-ylpyridin-3-yl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[(2-morpholino-3-pyridyl)methylamino]ethyl]benzothiophene-2-carboxamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)CNC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)CNC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-18-15-5-1-2-6-16(15)30-19(18)21(28)25-13-17(27)24-12-14-4-3-7-23-20(14)26-8-10-29-11-9-26/h1-7H,8-13H2,(H,24,27)(H,25,28)