N-[6-[2-(4-nitrophenyl)sulfanylethanoylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[2-(4-nitrophenyl)sulfanylethanoylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-[(4-nitrophenyl)thio]acetyl]amino]-1,3-benzothiazol-2-yl]butyramide Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S2/c1-2-3-17(24)22-19-21-15-9-4-12(10-16(15)29-19)20-18(25)11-28-14-7-5-13(6-8-14)23(26)27/h4-10H,2-3,11H2,1H3,(H,20,25)(H,21,22,24)