N-[5-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-4-methyl-thiophen-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[5-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-4-methyl-thiophen-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[5-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-4-methyl-2-thienyl]-2,2-dimethyl-propanamide CAS Name: N-[5-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-4-methyl-2-thiophenyl]-2,2-dimethylpropanamide IUPAC Name: N-[5-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[5-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-4-methyl-2-thienyl]-2,2-dimethyl-propionamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H25ClN4O4S/c1-13-11-17(23-20(28)21(2,3)4)31-18(13)19(27)25-9-7-24(8-10-25)15-6-5-14(22)12-16(15)26(29)30/h5-6,11-12H,7-10H2,1-4H3,(H,23,28)