4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]butyramide Formula: C19H19BrN2OS MolecularWeight: 403.33596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19BrN2OS/c1-13(14-9-11-15(20)12-10-14)21-18(23)7-4-8-19-22-16-5-2-3-6-17(16)24-19/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,21,23)/t13-/m0/s1