[2-(1-adamantyl)-2-oxidanylidene-ethyl] N-(azanylidenemethylidene)-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] N-(azanylidenemethylidene)-N'-phenyl-carbamimidothioate Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]-1-(iminomethylene)-3-phenyl-isothiourea CAS Name: N-(iminomethylidene)-N'-phenylcarbamimidothioic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] N-(iminomethylidene)-N'-phenylcarbamimidothioate Traditional Name: 2-[2-(1-adamantyl)-2-keto-ethyl]-1-(iminomethylene)-3-phenyl-isothiourea Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC(=NC4=CC=CC=C4)N=C=N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC(=NC4=CC=CC=C4)N=C=N

InChI

InChI=1S/C20H23N3OS/c21-13-22-19(23-17-4-2-1-3-5-17)25-12-18(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,14-16,21H,6-12H2