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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-2-3-6-15-7-9-17-20(13-15)30-22(23-17)24-21(27)16-8-10-18(19(14-16)26(28)29)25-11-4-5-12-25/h7-10,13-14H,2-6,11-12H2,1H3,(H,23,24,27)