N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-methylpiazthiol-4-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-11-4-6-13-17(21-27-20-13)16(11)19-18(24)12-5-7-14(15(10-12)23(25)26)22-8-2-3-9-22/h4-7,10H,2-3,8-9H2,1H3,(H,19,24)