1-[(4-chlorophenyl)carbonylamino]-3-[(2S)-2-ethylhexyl]thiourea

Systemtic Name: 1-[(4-chlorophenyl)carbonylamino]-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-[(4-chlorobenzoyl)amino]-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-[[(4-chlorophenyl)-oxomethyl]amino]-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-[(4-chlorobenzoyl)amino]-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-[(4-chlorobenzoyl)amino]-3-[(2S)-2-ethylhexyl]thiourea Formula: C16H24ClN3OS MolecularWeight: 341.89926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H24ClN3OS/c1-3-5-6-12(4-2)11-18-16(22)20-19-15(21)13-7-9-14(17)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,19,21)(H2,18,20,22)/t12-/m0/s1