1-[3-[4-[5-bromanyl-6-(diethylamino)pyridin-3-yl]sulfanylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea

Systemtic Name: 1-[3-[4-[5-bromanyl-6-(diethylamino)pyridin-3-yl]sulfanylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea Openeye Name: 1-[3-[4-[[5-bromo-6-(diethylamino)-3-pyridyl]sulfanyl]piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea CAS Name: 1-[3-[[4-[[5-bromo-6-(diethylamino)-3-pyridinyl]thio]-1-piperazinyl]-oxomethyl]-1-benzothiophen-2-yl]-3-ethylurea IUPAC Name: 1-[3-[4-[5-bromo-6-(diethylamino)pyridin-3-yl]sulfanylpiperazine-1-carbonyl]-1-benzothiophen-2-yl]-3-ethylurea Traditional Name: 1-[3-[4-[[5-bromo-6-(diethylamino)-3-pyridyl]thio]piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea Formula: C25H31BrN6O2S2 MolecularWeight: 591.58664

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)SC4=CC(=C(N=C4)N(CC)CC)Br

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)SC4=CC(=C(N=C4)N(CC)CC)Br

InChI

InChI=1S/C25H31BrN6O2S2/c1-4-27-25(34)29-23-21(18-9-7-8-10-20(18)35-23)24(33)31-11-13-32(14-12-31)36-17-15-19(26)22(28-16-17)30(5-2)6-3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H2,27,29,34)