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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-nitro-4-pyrrolidino-benzamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c24-19(20-12-18-21-14-5-1-2-6-17(14)27-18)13-7-8-15(16(11-13)23(25)26)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,24)