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

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-5-methyl-4-nitro-2-thiophenecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C16H15ClN4O4S MolecularWeight: 394.8327

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O4S/c1-9-13(21(24)25)7-14(26-9)16(23)19-10-2-3-12(11(17)6-10)20-5-4-18-15(22)8-20/h2-3,6-7H,4-5,8H2,1H3,(H,18,22)(H,19,23)