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

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(tetrahydrofurfuryl)thiourea Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC#N)CC2CCCO2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC#N)CC2CCCO2)C

InChI

InChI=1S/C17H23N3OS/c1-13-6-7-15(11-14(13)2)19-17(22)20(9-4-8-18)12-16-5-3-10-21-16/h6-7,11,16H,3-5,9-10,12H2,1-2H3,(H,19,22)