methyl 4-[[4-(1-adamantyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(1-adamantyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(1-adamantyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(1-adamantyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(1-adamantyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(1-adamantyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O2S/c1-26-20(25)3-2-8-23-21(27)24-19-6-4-18(5-7-19)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-7,15-17H,2-3,8-14H2,1H3,(H2,23,24,27)