(phenylmethyl) N-[1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(3-methyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3-methyl-2-oxo-1,3-benzothiazol-3-ium-3-yl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-(2-keto-3-methyl-1,3-benzothiazol-3-ium-3-yl)ethyl]carbamic acid benzyl ester Formula: C25H23N2O4S+ MolecularWeight: 447.52612

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2SC1=O)C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(C2=CC=CC=C2SC1=O)C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-27(21-14-8-9-15-22(21)32-25(27)30)23(28)20(16-18-10-4-2-5-11-18)26-24(29)31-17-19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3/p+1