N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O3S/c1-16-8-9-18(25-27-19-6-2-3-7-23(19)33-25)14-20(16)26-24(30)17-10-11-21(22(15-17)29(31)32)28-12-4-5-13-28/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,26,30)