2-oxidanylidenepropyl N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: 2-oxidanylidenepropyl N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 2-acetonyl-1-benzyl-1-methyl-3-phenyl-isothiourea CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-acetonyl-1-benzyl-1-methyl-3-phenyl-isothiourea Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC(=NC1=CC=CC=C1)N(C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC(=NC1=CC=CC=C1)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2OS/c1-15(21)14-22-18(19-17-11-7-4-8-12-17)20(2)13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3