3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3,4-dimethylphenyl)-1-(2-furylmethyl)thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-(2-furanylmethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)-1-(2-furfuryl)thiourea Formula: C21H22N2OS MolecularWeight: 350.47718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C21H22N2OS/c1-16-10-11-19(13-17(16)2)22-21(25)23(15-20-9-6-12-24-20)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3,(H,22,25)