N-butyl-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]acetamide Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3S/c1-2-3-6-18-16(23)12-20-7-9-21(10-8-20)17-19-14-5-4-13(22(24)25)11-15(14)26-17/h4-5,11H,2-3,6-10,12H2,1H3,(H,18,23)