2-[ethyl-[4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Systemtic Name: 2-[ethyl-[4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]amino]ethyl N-butylcarbamate Openeye Name: 2-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]ethyl N-butylcarbamate CAS Name: N-butylcarbamic acid 2-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]ethyl ester IUPAC Name: 2-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]ethyl N-butylcarbamate Traditional Name: N-butylcarbamic acid 2-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)azo]anilino]ethyl ester Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-3-5-12-23-22(29)32-14-13-27(4-2)17-8-6-16(7-9-17)24-25-21-19-15-18(28(30)31)10-11-20(19)26-33-21/h6-11,15H,3-5,12-14H2,1-2H3,(H,23,29)