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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-18(2,3)11-8-9-15-13(10-11)19-17(25-15)20-16(22)12-6-4-5-7-14(12)21(23)24/h4-7,11H,8-10H2,1-3H3,(H,19,20,22)/t11-/m0/s1