1-(2,6-diethylphenyl)-3-[2-(dimethylamino)-2-pyridin-3-yl-ethyl]thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-[2-(dimethylamino)-2-pyridin-3-yl-ethyl]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[2-(dimethylamino)-2-(3-pyridyl)ethyl]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[2-(dimethylamino)-2-(3-pyridinyl)ethyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[2-(dimethylamino)-2-(3-pyridyl)ethyl]thiourea Formula: C20H28N4S MolecularWeight: 356.52812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CN=CC=C2)N(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NCC(C2=CN=CC=C2)N(C)C

InChI

InChI=1S/C20H28N4S/c1-5-15-9-7-10-16(6-2)19(15)23-20(25)22-14-18(24(3)4)17-11-8-12-21-13-17/h7-13,18H,5-6,14H2,1-4H3,(H2,22,23,25)