(4-cyclohexylpiperazin-1-yl)-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone

Systemtic Name: (4-cyclohexylpiperazin-1-yl)-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone Openeye Name: (4-cyclohexylpiperazin-1-yl)-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone CAS Name: (4-cyclohexyl-1-piperazinyl)-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: (4-cyclohexylpiperazin-1-yl)-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone Traditional Name: (4-cyclohexylpiperazino)-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4CCCCC4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4CCCCC4)N5C=CC=C5)C

InChI

InChI=1S/C24H30N4OS/c1-17-16-18(2)25-23-20(17)21(27-10-6-7-11-27)22(30-23)24(29)28-14-12-26(13-15-28)19-8-4-3-5-9-19/h6-7,10-11,16,19H,3-5,8-9,12-15H2,1-2H3