1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)thiourea Formula: C19H21N3S MolecularWeight: 323.45514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C19H21N3S/c1-15-8-6-9-16(2)18(15)21-19(23)22(13-7-12-20)14-17-10-4-3-5-11-17/h3-6,8-11H,7,13-14H2,1-2H3,(H,21,23)