2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H25ClN4O3S/c1-13-4-6-17(25(27)28)19(14(13)2)22-20(26)15(3)24-10-8-23(9-11-24)12-16-5-7-18(21)29-16/h4-7,15H,8-12H2,1-3H3,(H,22,26)