tert-butyl 2-[2-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-6-nitro-2H-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-6-nitro-2H-1,3-benzothiazol-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-[(4-guanidinobenzoyl)amino]-6-nitro-2H-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-6-nitro-2H-1,3-benzothiazol-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[[4-(diaminomethylideneamino)benzoyl]amino]-6-nitro-2H-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[(4-guanidinobenzoyl)amino]-6-nitro-2H-1,3-benzothiazol-3-yl]acetic acid tert-butyl ester Formula: C21H24N6O5S MolecularWeight: 472.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(SC2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(SC2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H24N6O5S/c1-21(2,3)32-17(28)11-26-15-9-8-14(27(30)31)10-16(15)33-20(26)25-18(29)12-4-6-13(7-5-12)24-19(22)23/h4-10,20H,11H2,1-3H3,(H,25,29)(H4,22,23,24)