2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(1Z)-1-(1,3-benzothiazol-2-ylhydrazinylidene)ethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidino-ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OCC(=O)N4CCCC4

Isomeric SMILES

C/C(=N/NC1=NC2=CC=CC=C2S1)/C3=CC=C(C=C3)OCC(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-15(23-24-21-22-18-6-2-3-7-19(18)28-21)16-8-10-17(11-9-16)27-14-20(26)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,24)/b23-15-