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

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiourea Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=C(ON=C1C2=CC=CC=C2)C

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=C(ON=C1C2=CC=CC=C2)C

InChI

InChI=1S/C20H28N4O2S/c1-4-5-7-10-14(2)13-21-20(27)23-22-19(25)17-15(3)26-24-18(17)16-11-8-6-9-12-16/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3,(H,22,25)(H2,21,23,27)/t14-/m0/s1