N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chloranyl-benzamide

Systemtic Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chloranyl-benzamide Openeye Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chloro-benzamide CAS Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chlorobenzamide IUPAC Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chlorobenzamide Traditional Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-chloro-benzamide Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN2OS/c1-18(2,3)12-7-8-14-15(10-12)23-17(20-14)21-16(22)11-5-4-6-13(19)9-11/h4-6,9,12H,7-8,10H2,1-3H3,(H,20,21,22)/t12-/m0/s1