1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)thiourea Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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