methyl 3-[[N'-[(2S)-6-methylheptan-2-yl]carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[N'-[(2S)-6-methylheptan-2-yl]carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[N'-[(1S)-1,5-dimethylhexyl]carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 3-[[[amino-[(2S)-6-methylheptan-2-yl]iminomethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[N'-[(2S)-6-methylheptan-2-yl]carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[N'-[(1S)-1,5-dimethylhexyl]amidino]thio]methyl]benzoic acid methyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N=C(N)SCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

C[C@@H](CCCC(C)C)N=C(N)SCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C18H28N2O2S/c1-13(2)7-5-8-14(3)20-18(19)23-12-15-9-6-10-16(11-15)17(21)22-4/h6,9-11,13-14H,5,7-8,12H2,1-4H3,(H2,19,20)/t14-/m0/s1