N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxy-benzamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O4S/c1-3-4-5-12-27-16-9-6-14(7-10-16)19(24)21-20-22(2)17-13-15(23(25)26)8-11-18(17)28-20/h6-11,13H,3-5,12H2,1-2H3