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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-17(20-18-19-13-5-1-2-6-16(13)26-18)12-7-8-14(15(11-12)22(24)25)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,23)