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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS2/c1-4-5-7-10-14(2)13-21-20(26)24-23-19(25)18-17(22-15(3)27-18)16-11-8-6-9-12-16/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3,(H,23,25)(H2,21,24,26)/t14-/m0/s1