4-(1,3-benzothiazol-2-yl)-N-(3-chloranyl-2,6-diethyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(3-chloranyl-2,6-diethyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(3-chloro-2,6-diethyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(3-chloro-2,6-diethylphenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(3-chloro-2,6-diethylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(3-chloro-2,6-diethyl-phenyl)butyramide Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23ClN2OS/c1-3-14-12-13-16(22)15(4-2)21(14)24-19(25)10-7-11-20-23-17-8-5-6-9-18(17)26-20/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,24,25)