1-ethyl-3-[3-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]urea

Systemtic Name: 1-ethyl-3-[3-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]urea Openeye Name: 1-ethyl-3-[3-[4-(3-oxo-3-pyrrolidin-1-yl-propyl)sulfonylpiperazine-1-carbonyl]benzothiophen-2-yl]urea CAS Name: 1-ethyl-3-[3-[oxo-[4-[3-oxo-3-(1-pyrrolidinyl)propyl]sulfonyl-1-piperazinyl]methyl]-1-benzothiophen-2-yl]urea IUPAC Name: 1-ethyl-3-[3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfonylpiperazine-1-carbonyl]-1-benzothiophen-2-yl]urea Traditional Name: 1-ethyl-3-[3-[4-(3-keto-3-pyrrolidino-propyl)sulfonylpiperazine-1-carbonyl]benzothiophen-2-yl]urea Formula: C23H31N5O5S2 MolecularWeight: 521.65274

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)CCC(=O)N4CCCC4

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)CCC(=O)N4CCCC4

InChI

InChI=1S/C23H31N5O5S2/c1-2-24-23(31)25-21-20(17-7-3-4-8-18(17)34-21)22(30)27-12-14-28(15-13-27)35(32,33)16-9-19(29)26-10-5-6-11-26/h3-4,7-8H,2,5-6,9-16H2,1H3,(H2,24,25,31)