1-[(2S)-2-ethylhexyl]-3-[(3-methoxyphenyl)amino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(3-methoxyphenyl)amino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-(3-methoxyanilino)thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-(3-methoxyanilino)thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-(3-methoxyanilino)thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-(m-anisidino)thiourea Formula: C16H27N3OS MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC1=CC(=CC=C1)OC

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC1=CC(=CC=C1)OC

InChI

InChI=1S/C16H27N3OS/c1-4-6-8-13(5-2)12-17-16(21)19-18-14-9-7-10-15(11-14)20-3/h7,9-11,13,18H,4-6,8,12H2,1-3H3,(H2,17,19,21)/t13-/m0/s1