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

Systemtic Name: (4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C22H22N4O3S3 MolecularWeight: 486.63008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N5C=CC=C5)C

InChI

InChI=1S/C22H22N4O3S3/c1-15-14-16(2)23-21-18(15)19(24-7-3-4-8-24)20(31-21)22(27)25-9-11-26(12-10-25)32(28,29)17-6-5-13-30-17/h3-8,13-14H,9-12H2,1-2H3