4-(dimethylamino)-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-(dimethylamino)-3-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-23(2)16-8-5-13(11-17(16)25(27)28)19(26)21-14-6-7-15-18(12-14)29-20(22-15)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,26)