4-[(4-nitrophenyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[(4-nitrophenyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-nitroanilino)-1-[4-(3-thienylmethyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-nitroanilino)-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-nitroanilino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-nitroanilino)-1-[4-(3-thenyl)piperazino]butan-1-one Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3S/c24-19(2-1-8-20-17-3-5-18(6-4-17)23(25)26)22-11-9-21(10-12-22)14-16-7-13-27-15-16/h3-7,13,15,20H,1-2,8-12,14H2