2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-chloranyl-4-cyano-phenyl)propanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-chloranyl-4-cyano-phenyl)propanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-chloro-4-cyano-phenyl)propanamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-chloro-4-cyanophenyl)propanamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-chloro-4-cyanophenyl)propanamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-chloro-4-cyano-phenyl)propionamide Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17ClN4OS/c1-12(19(25)22-14-8-7-13(10-21)15(20)9-14)24(2)11-18-23-16-5-3-4-6-17(16)26-18/h3-9,12H,11H2,1-2H3,(H,22,25)