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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-12(26)21-14-5-6-15-18(11-14)30-20(22-15)23-19(27)13-4-7-16(17(10-13)25(28)29)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,26)(H,22,23,27)