2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide CAS Name: 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-9-6-7-12-14(8-9)23-16(17-12)18-15(20)11-4-3-5-13(10(11)2)19(21)22/h3-5,9H,6-8H2,1-2H3,(H,17,18,20)/t9-/m1/s1