(4-cyanophenyl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-[(1S)-1,5-dimethylhexyl]isothiourea CAS Name: N'-[(2S)-6-methylheptan-2-yl]carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-[(1S)-1,5-dimethylhexyl]isothiourea Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N=C(N)SCC1=CC=C(C=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3S/c1-13(2)5-4-6-14(3)20-17(19)21-12-16-9-7-15(11-18)8-10-16/h7-10,13-14H,4-6,12H2,1-3H3,(H2,19,20)/t14-/m0/s1