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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-isobutyl-3-nitro-4-pyrrolidino-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-15(2)14-25(22-23-17-7-3-4-8-20(17)30-22)21(27)16-9-10-18(19(13-16)26(28)29)24-11-5-6-12-24/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3