1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-(2,4,5-trimethylphenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-(2,4,5-trimethylphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-(tetrahydrofuran-2-ylmethyl)-3-(2,4,5-trimethylphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-(2-oxolanylmethyl)-3-(2,4,5-trimethylphenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-(2,4,5-trimethylphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(tetrahydrofurfuryl)-3-(2,4,5-trimethylphenyl)thiourea Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N(CCC#N)CC2CCCO2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N(CCC#N)CC2CCCO2)C

InChI

InChI=1S/C18H25N3OS/c1-13-10-15(3)17(11-14(13)2)20-18(23)21(8-5-7-19)12-16-6-4-9-22-16/h10-11,16H,4-6,8-9,12H2,1-3H3,(H,20,23)