1-(2-ethyl-6-methyl-phenyl)-3-(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[2-morpholino-2-(3-pyridyl)ethyl]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[2-(4-morpholinyl)-2-(3-pyridinyl)ethyl]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[2-morpholino-2-(3-pyridyl)ethyl]thiourea Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NCC(C2=CN=CC=C2)N3CCOCC3)C

InChI

InChI=1S/C21H28N4OS/c1-3-17-7-4-6-16(2)20(17)24-21(27)23-15-19(18-8-5-9-22-14-18)25-10-12-26-13-11-25/h4-9,14,19H,3,10-13,15H2,1-2H3,(H2,23,24,27)