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

Systemtic Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide CAS Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-9-5-6-12-13(7-9)22-15(16-12)17-14(19)10-3-2-4-11(8-10)18(20)21/h2-4,8-9H,5-7H2,1H3,(H,16,17,19)/t9-/m1/s1