1-(1-adamantyl)-3-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-oxo-3-(4-thiazol-2-ylpiperazin-1-yl)propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-oxo-3-[4-(2-thiazolyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-keto-3-(4-thiazol-2-ylpiperazino)propyl]urea Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N5O2S/c27-18(25-4-6-26(7-5-25)20-23-3-8-29-20)1-2-22-19(28)24-21-12-15-9-16(13-21)11-17(10-15)14-21/h3,8,15-17H,1-2,4-7,9-14H2,(H2,22,24,28)