1-(2,5-dimethylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(1,5-dimethyl-2-pyrrolyl)methyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Formula: C16H21N3S MolecularWeight: 287.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC=C(N2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC=C(N2C)C

InChI

InChI=1S/C16H21N3S/c1-11-5-6-12(2)15(9-11)18-16(20)17-10-14-8-7-13(3)19(14)4/h5-9H,10H2,1-4H3,(H2,17,18,20)