methyl N'-(1-adamantyl)-N-(4-cyanophenyl)carbamimidothioate

Systemtic Name: methyl N'-(1-adamantyl)-N-(4-cyanophenyl)carbamimidothioate Openeye Name: 3-(1-adamantyl)-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N'-(1-adamantyl)-N-(4-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-adamantyl)-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 3-(1-adamantyl)-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C19H23N3S MolecularWeight: 325.47102

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CSC(=NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H23N3S/c1-23-18(21-17-4-2-13(12-20)3-5-17)22-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-11H2,1H3,(H,21,22)