diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(3-nitrophenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl]ammonium Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-4-23(5-2)11-12-24(20(26)15-7-6-8-16(13-15)25(27)28)21-22-18-10-9-17(29-3)14-19(18)30-21/h6-10,13-14H,4-5,11-12H2,1-3H3/p+1