1-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]piperazino]-2-methyl-propan-1-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C21H29N3O2S/c1-15(2)21(26)23-9-7-22(8-10-23)14-20(25)19-12-16(3)24(17(19)4)13-18-6-5-11-27-18/h5-6,11-12,15H,7-10,13-14H2,1-4H3