N,N'-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanediamide

Systemtic Name: N,N'-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanediamide Openeye Name: N,N'-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanediamide CAS Name: N,N'-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]butanediamide IUPAC Name: N,N'-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]butanediamide Traditional Name: N,N'-diethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]succinamide Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CC(C(=O)NCC)SC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)CC(C(=O)NCC)SC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S2/c1-3-16-13(20)8-12(14(21)17-4-2)25-15-18-10-6-5-9(19(22)23)7-11(10)24-15/h5-7,12H,3-4,8H2,1-2H3,(H,16,20)(H,17,21)