3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-(2-propionamido-1,3-benzothiazol-6-yl)-4-pyrrolidino-benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-2-19(27)24-21-23-15-7-6-14(12-18(15)31-21)22-20(28)13-5-8-16(17(11-13)26(29)30)25-9-3-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,28)(H,23,24,27)