1-(2-methylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea

Systemtic Name: 1-(2-methylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Openeye Name: 1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea IUPAC Name: 1-(2-methylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea Traditional Name: 1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(o-tolyl)thiourea Formula: C16H19N3S2 MolecularWeight: 317.47216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C16H19N3S2/c1-10-7-8-13-14(9-10)21-16(18-13)19-15(20)17-12-6-4-3-5-11(12)2/h3-6,10H,7-9H2,1-2H3,(H2,17,18,19,20)