1-ethyl-3-[3-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]piperazin-1-yl]carbonyl-1-benzothiophen-2-yl]urea

Systemtic Name: 1-ethyl-3-[3-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]piperazin-1-yl]carbonyl-1-benzothiophen-2-yl]urea Openeye Name: 1-ethyl-3-[3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]piperazine-1-carbonyl]benzothiophen-2-yl]urea CAS Name: 1-ethyl-3-[3-[oxo-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)thio]-1-piperazinyl]methyl]-1-benzothiophen-2-yl]urea IUPAC Name: 1-ethyl-3-[3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]piperazine-1-carbonyl]-1-benzothiophen-2-yl]urea Traditional Name: 1-ethyl-3-[3-[4-[(3-keto-4H-1,4-benzoxazin-6-yl)thio]piperazine-1-carbonyl]benzothiophen-2-yl]urea Formula: C24H25N5O4S2 MolecularWeight: 511.6164

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)SC4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)SC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C24H25N5O4S2/c1-2-25-24(32)27-22-21(16-5-3-4-6-19(16)34-22)23(31)28-9-11-29(12-10-28)35-15-7-8-18-17(13-15)26-20(30)14-33-18/h3-8,13H,2,9-12,14H2,1H3,(H,26,30)(H2,25,27,32)