(4-cyanophenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21N3S/c1-3-14(2)17-8-10-18(11-9-17)22-19(21)23-13-16-6-4-15(12-20)5-7-16/h4-11,14H,3,13H2,1-2H3,(H2,21,22)/t14-/m0/s1