2-(1-adamantylcarbamoylamino)-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 2-(1-adamantylcarbamoylamino)-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 2-(1-adamantylcarbamoylamino)-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 2-(1-adamantylcarbamoylamino)-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 2-(1-adamantylcarbamoylamino)-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N5O2S/c1-14(2)20(21(31)27-24-30-29-22(33-24)19-6-4-15(3)5-7-19)26-23(32)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,14,16-18,20H,8-13H2,1-3H3,(H2,26,28,32)(H,27,30,31)