3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzamide

Systemtic Name: 3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzamide Openeye Name: 3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzamide CAS Name: 3-nitro-4-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]amino]benzamide IUPAC Name: 3-nitro-4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]benzamide Traditional Name: 3-nitro-4-[(2-pyrrolidino-1,3-benzothiazol-6-yl)amino]benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c19-17(24)11-3-5-13(15(9-11)23(25)26)20-12-4-6-14-16(10-12)27-18(21-14)22-7-1-2-8-22/h3-6,9-10,20H,1-2,7-8H2,(H2,19,24)