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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-33-19-8-6-7-18(16-19)28(25-26-20-9-2-3-10-23(20)34-25)24(30)17-11-12-21(22(15-17)29(31)32)27-13-4-5-14-27/h2-3,6-12,15-16H,4-5,13-14H2,1H3