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

Systemtic Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitro-benzamide CAS Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-9-2-7-12-13(8-9)22-15(16-12)17-14(19)10-3-5-11(6-4-10)18(20)21/h3-6,9H,2,7-8H2,1H3,(H,16,17,19)/t9-/m0/s1