5-methyl-4-nitro-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-4-nitro-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]thiophene-2-carboxamide Openeye Name: 5-methyl-4-nitro-N-[4-(3-oxopiperazin-1-yl)phenyl]thiophene-2-carboxamide CAS Name: 5-methyl-4-nitro-N-[4-(3-oxo-1-piperazinyl)phenyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-4-nitro-N-[4-(3-oxopiperazin-1-yl)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-10-13(20(23)24)8-14(25-10)16(22)18-11-2-4-12(5-3-11)19-7-6-17-15(21)9-19/h2-5,8H,6-7,9H2,1H3,(H,17,21)(H,18,22)