1-[1-(1,3-dithiepan-2-yl)ethyl]-1-ethyl-3-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-[1-(1,3-dithiepan-2-yl)ethyl]-1-ethyl-3-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 1-[1-(1,3-dithiepan-2-yl)ethyl]-1-ethyl-3-[5-(1-piperidylsulfonyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-[1-(1,3-dithiepan-2-yl)ethyl]-1-ethyl-3-[5-(1-piperidinylsulfonyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-[1-(1,3-dithiepan-2-yl)ethyl]-1-ethyl-3-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 1-[1-(1,3-dithiepan-2-yl)ethyl]-1-ethyl-3-(5-piperidinosulfonyl-1,3,4-thiadiazol-2-yl)urea Formula: C17H29N5O3S4 MolecularWeight: 479.70386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C1SCCCCS1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(C(C)C1SCCCCS1)C(=O)NC2=NN=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H29N5O3S4/c1-3-22(13(2)14-26-11-7-8-12-27-14)16(23)18-15-19-20-17(28-15)29(24,25)21-9-5-4-6-10-21/h13-14H,3-12H2,1-2H3,(H,18,19,23)