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

Systemtic Name: (4-nitrophenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 3-[4-[(1S)-1-methylpropyl]phenyl]-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 3-[4-[(1S)-1-methylpropyl]phenyl]-2-(4-nitrobenzyl)isothiourea Formula: C18H21N3O2S MolecularWeight: 343.44324

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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)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2S/c1-3-13(2)15-6-8-16(9-7-15)20-18(19)24-12-14-4-10-17(11-5-14)21(22)23/h4-11,13H,3,12H2,1-2H3,(H2,19,20)/t13-/m0/s1