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

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-14(20-22-16-7-3-4-8-19(16)29-20)23(2)21(26)15-9-10-17(18(13-15)25(27)28)24-11-5-6-12-24/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3