N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholinopropyl)benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholinopropyl)benzamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21ClN4O2S/c23-18-3-1-4-19-20(18)25-22(30-19)27(10-2-9-26-11-13-29-14-12-26)21(28)17-7-5-16(15-24)6-8-17/h1,3-8H,2,9-14H2