3-[3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(1-adamantylcarbamoylamino)-2-keto-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N6O3S/c22-16(28)3-4-27-18(15-1-2-15)25-26-20(27)31-11-17(29)23-19(30)24-21-8-12-5-13(9-21)7-14(6-12)10-21/h12-15H,1-11H2,(H2,22,28)(H2,23,24,29,30)