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

Systemtic Name: (4-propan-2-ylphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[(4-isopropylphenyl)methyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-(4-isopropylbenzyl)-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C21H28N2S MolecularWeight: 340.52542

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2S/c1-5-16(4)19-10-12-20(13-11-19)23-21(22)24-14-17-6-8-18(9-7-17)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H2,22,23)/t16-/m0/s1