2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(2-thienylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(4-nitrophenyl)thio]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-nitrophenyl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 2-[(4-nitrophenyl)thio]-1-[4-(2-thenyl)piperazino]propan-1-one Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CS2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CS2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S2/c1-14(26-16-6-4-15(5-7-16)21(23)24)18(22)20-10-8-19(9-11-20)13-17-3-2-12-25-17/h2-7,12,14H,8-11,13H2,1H3