N-[3-(3-acetamidopropyl)-4-(azidomethyl)-1,3-thiazol-2-ylidene]-2,4-dimethoxy-benzamide

Systemtic Name: N-[3-(3-acetamidopropyl)-4-(azidomethyl)-1,3-thiazol-2-ylidene]-2,4-dimethoxy-benzamide Openeye Name: N-[3-(3-acetamidopropyl)-4-(azidomethyl)thiazol-2-ylidene]-2,4-dimethoxy-benzamide CAS Name: N-[3-(3-acetamidopropyl)-4-(azidomethyl)-2-thiazolylidene]-2,4-dimethoxybenzamide IUPAC Name: N-[3-(3-acetamidopropyl)-4-(azidomethyl)-1,3-thiazol-2-ylidene]-2,4-dimethoxybenzamide Traditional Name: N-[3-(3-acetamidopropyl)-4-(azidomethyl)-4-thiazolin-2-ylidene]-2,4-dimethoxy-benzamide Formula: C18H22N6O4S MolecularWeight: 418.47008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCN1C(=CSC1=NC(=O)C2=C(C=C(C=C2)OC)OC)CN=[N+]=[N-]

Isomeric SMILES

CC(=O)NCCCN1C(=CSC1=NC(=O)C2=C(C=C(C=C2)OC)OC)CN=[N+]=[N-]

InChI

InChI=1S/C18H22N6O4S/c1-12(25)20-7-4-8-24-13(10-21-23-19)11-29-18(24)22-17(26)15-6-5-14(27-2)9-16(15)28-3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,25)