[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-azanyl-N'-tert-butyl-N-methyl-carbamimidothioate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] N-azanyl-N'-tert-butyl-N-methyl-carbamimidothioate Openeye Name: 1-amino-3-tert-butyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-methyl-isothiourea CAS Name: N-amino-N'-tert-butyl-N-methylcarbamimidothioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] N-amino-N'-tert-butyl-N-methylcarbamimidothioate Traditional Name: 1-amino-3-tert-butyl-2-[2-(4-chlorophenyl)-2-keto-ethyl]-1-methyl-isothiourea Formula: C14H20ClN3OS MolecularWeight: 313.8461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N(C)N)SCC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)N=C(N(C)N)SCC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H20ClN3OS/c1-14(2,3)17-13(18(4)16)20-9-12(19)10-5-7-11(15)8-6-10/h5-8H,9,16H2,1-4H3