1-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea

Systemtic Name: 1-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Openeye Name: 1-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea CAS Name: 1-[5-(1-cyclohexenylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea IUPAC Name: 1-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Formula: C18H22N4OS MolecularWeight: 342.45848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)CC3=CCCCC3)C

InChI

InChI=1S/C18H22N4OS/c1-12-8-9-15(10-13(12)2)19-17(23)20-18-22-21-16(24-18)11-14-6-4-3-5-7-14/h6,8-10H,3-5,7,11H2,1-2H3,(H2,19,20,22,23)