1-[4-(cyanomethyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea

Systemtic Name: 1-[4-(cyanomethyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-[4-(cyanomethyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-[4-(cyanomethyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-[4-(cyanomethyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-[4-(cyanomethyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC=C(C=C1)CC#N

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C17H25N3S/c1-3-5-6-14(4-2)13-19-17(21)20-16-9-7-15(8-10-16)11-12-18/h7-10,14H,3-6,11,13H2,1-2H3,(H2,19,20,21)/t14-/m0/s1