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

Systemtic Name: methyl N'-(1-adamantylmethyl)-N-(4-cyanophenyl)carbamimidothioate Openeye Name: 3-(1-adamantylmethyl)-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N'-(1-adamantylmethyl)-N-(4-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-adamantylmethyl)-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 3-(1-adamantylmethyl)-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C20H25N3S MolecularWeight: 339.4976

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CSC(=NCC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H25N3S/c1-24-19(23-18-4-2-14(12-21)3-5-18)22-13-20-9-15-6-16(10-20)8-17(7-15)11-20/h2-5,15-17H,6-11,13H2,1H3,(H,22,23)