1-[7-cyano-3-[4-[6-(diethylamino)pyridin-3-yl]sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea

Systemtic Name: 1-[7-cyano-3-[4-[6-(diethylamino)pyridin-3-yl]sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea Openeye Name: 1-[7-cyano-3-[4-[[6-(diethylamino)-3-pyridyl]sulfonyl]piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea CAS Name: 1-[7-cyano-3-[[4-[[6-(diethylamino)-3-pyridinyl]sulfonyl]-1-piperazinyl]-oxomethyl]-1-benzothiophen-2-yl]-3-ethylurea IUPAC Name: 1-[7-cyano-3-[4-[6-(diethylamino)pyridin-3-yl]sulfonylpiperazine-1-carbonyl]-1-benzothiophen-2-yl]-3-ethylurea Traditional Name: 1-[7-cyano-3-[4-[[6-(diethylamino)-3-pyridyl]sulfonyl]piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea Formula: C26H31N7O4S2 MolecularWeight: 569.69884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC(=C2S1)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN=C(C=C4)N(CC)CC

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC(=C2S1)C#N)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN=C(C=C4)N(CC)CC

InChI

InChI=1S/C26H31N7O4S2/c1-4-28-26(35)30-24-22(20-9-7-8-18(16-27)23(20)38-24)25(34)32-12-14-33(15-13-32)39(36,37)19-10-11-21(29-17-19)31(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3,(H2,28,30,35)