1-[(2S)-2-ethylhexyl]-3-[(4-methylphenyl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(4-methylphenyl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(4-methylbenzoyl)amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[(4-methylphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(4-methylbenzoyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-(p-toluoylamino)thiourea Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C17H27N3OS/c1-4-6-7-14(5-2)12-18-17(22)20-19-16(21)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)(H2,18,20,22)/t14-/m0/s1