N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O5S/c1-28-16-10-13-18(11-17(16)29-2)30-20(21-13)22-19(25)12-5-6-14(15(9-12)24(26)27)23-7-3-4-8-23/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,21,22,25)