N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]-4-methyl-3-nitro-benzamide Formula: C23H21ClN4O4S MolecularWeight: 484.95524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H21ClN4O4S/c1-15-4-5-16(13-20(15)28(31)32)22(29)25-17-6-7-19(18(24)14-17)26-8-10-27(11-9-26)23(30)21-3-2-12-33-21/h2-7,12-14H,8-11H2,1H3,(H,25,29)