1-[(2S)-2-ethylhexyl]-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]thiourea Formula: C20H28N4OS2 MolecularWeight: 404.59252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C

InChI

InChI=1S/C20H28N4OS2/c1-4-6-10-15(5-2)13-21-20(26)24-23-18(25)17-14(3)22-19(27-17)16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13H2,1-3H3,(H,23,25)(H2,21,24,26)/t15-/m0/s1