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

Systemtic Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitro-benzamide CAS Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitro-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-18(2,3)12-6-9-14-15(10-12)25-17(19-14)20-16(22)11-4-7-13(8-5-11)21(23)24/h4-5,7-8,12H,6,9-10H2,1-3H3,(H,19,20,22)/t12-/m0/s1