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

Systemtic Name: 4-(methylamino)-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-(methylamino)-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-(methylamino)-3-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-(methylamino)-3-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-20-14-6-4-12(10-16(14)24(26)27)18(25)21-13-5-7-15-17(11-13)28-19(22-15)23-8-2-3-9-23/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,21,25)