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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[2-methyl-4-(4-methylpiperazino)phenyl]-5-nitro-thiophene-3-carboxamide Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c1-12-9-14(20-7-5-19(2)6-8-20)3-4-15(12)18-17(22)13-10-16(21(23)24)25-11-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,22)