methyl 4-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(1-adamantyl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C18H29N3O3S/c1-24-16(23)3-2-4-19-17(25)21-20-15(22)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,2-11H2,1H3,(H,20,22)(H2,19,21,25)