1-[(2S)-2-ethylhexyl]-3-[(1-methylindol-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(1-methylindol-3-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(1-methylindole-3-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[(1-methyl-3-indolyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(1-methylindole-3-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(1-methylindole-3-carbonyl)amino]thiourea Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)C1=CN(C2=CC=CC=C21)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)C1=CN(C2=CC=CC=C21)C

InChI

InChI=1S/C19H28N4OS/c1-4-6-9-14(5-2)12-20-19(25)22-21-18(24)16-13-23(3)17-11-8-7-10-15(16)17/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,21,24)(H2,20,22,25)/t14-/m0/s1