N-(3-nitrophenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide

Systemtic Name: N-(3-nitrophenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide Openeye Name: N-(3-nitrophenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide CAS Name: N-(3-nitrophenyl)-2-[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]butanamide IUPAC Name: N-(3-nitrophenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide Traditional Name: N-(3-nitrophenyl)-2-[(6-propionamido-1,3-benzothiazol-2-yl)thio]butyramide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(S2)C=C(C=C3)NC(=O)CC

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=C(S2)C=C(C=C3)NC(=O)CC

InChI

InChI=1S/C20H20N4O4S2/c1-3-16(19(26)22-12-6-5-7-14(10-12)24(27)28)29-20-23-15-9-8-13(11-17(15)30-20)21-18(25)4-2/h5-11,16H,3-4H2,1-2H3,(H,21,25)(H,22,26)