1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c1-14(2)27-21(26)15-8-10-16(11-9-15)22-19(25)12-24(3)13-20-23-17-6-4-5-7-18(17)28-20/h4-11,14H,12-13H2,1-3H3,(H,22,25)/p+1