N-[5-ethanoylimino-3-[2-(5-methylsulfonyl-2,1-benzothiazol-3-yl)hydrazinyl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]ethanamide

Systemtic Name: N-[5-ethanoylimino-3-[2-(5-methylsulfonyl-2,1-benzothiazol-3-yl)hydrazinyl]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]ethanamide Openeye Name: N-[5-acetylimino-3-[2-(5-methylsulfonyl-2,1-benzothiazol-3-yl)hydrazino]-6-oxo-cyclohexa-1,3-dien-1-yl]acetamide CAS Name: N-[5-acetylimino-3-[(5-methylsulfonyl-2,1-benzothiazol-3-yl)hydrazo]-6-oxo-1-cyclohexa-1,3-dienyl]acetamide IUPAC Name: N-[5-acetylimino-3-[2-(5-methylsulfonyl-2,1-benzothiazol-3-yl)hydrazinyl]-6-oxocyclohexa-1,3-dien-1-yl]acetamide Traditional Name: N-[5-acetylimino-6-keto-3-[N'-(5-mesyl-2,1-benzothiazol-3-yl)hydrazino]cyclohexa-1,3-dien-1-yl]acetamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=NC(=O)C)C1=O)NNC2=C3C=C(C=CC3=NS2)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=NC(=O)C)C1=O)NNC2=C3C=C(C=CC3=NS2)S(=O)(=O)C

InChI

InChI=1S/C18H17N5O5S2/c1-9(24)19-15-6-11(7-16(17(15)26)20-10(2)25)21-22-18-13-8-12(30(3,27)28)4-5-14(13)23-29-18/h4-8,21-22H,1-3H3,(H,19,24)