3-nitro-N-[5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-nitro-N-[5-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-nitro-N-[5-[3-(2-oxo-1-pyrrolidinyl)propylamino]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-N-[5-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[3-(2-ketopyrrolidino)propylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4S/c23-13-6-2-8-21(13)9-3-7-17-15-19-20-16(27-15)18-14(24)11-4-1-5-12(10-11)22(25)26/h1,4-5,10H,2-3,6-9H2,(H,17,19)(H,18,20,24)