1-(1,3-benzothiazol-2-yl)-3-[6-(1,3-benzothiazol-2-ylcarbamoylamino)hexyl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[6-(1,3-benzothiazol-2-ylcarbamoylamino)hexyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[6-(1,3-benzothiazol-2-ylcarbamoylamino)hexyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[6-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]hexyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[6-(1,3-benzothiazol-2-ylcarbamoylamino)hexyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[6-(1,3-benzothiazol-2-ylcarbamoylamino)hexyl]urea Formula: C22H24N6O2S2 MolecularWeight: 468.59496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)NCCCCCCNC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)NCCCCCCNC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N6O2S2/c29-19(27-21-25-15-9-3-5-11-17(15)31-21)23-13-7-1-2-8-14-24-20(30)28-22-26-16-10-4-6-12-18(16)32-22/h3-6,9-12H,1-2,7-8,13-14H2,(H2,23,25,27,29)(H2,24,26,28,30)