5-methyl-4-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

Systemtic Name: 5-methyl-4-nitro-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: 5-methyl-4-nitro-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-methyl-4-nitrothiophene-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3S/c1-16-18(24(26)27)14-19(28-16)20(25)21-8-5-9-22-10-12-23(13-11-22)15-17-6-3-2-4-7-17/h2-4,6-7,14H,5,8-13,15H2,1H3,(H,21,25)