3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-(3-morpholinopropyl)thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-benzyl-3-(2,6-dimethylphenyl)-1-(3-morpholinopropyl)thiourea Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3OS/c1-19-8-6-9-20(2)22(19)24-23(28)26(18-21-10-4-3-5-11-21)13-7-12-25-14-16-27-17-15-25/h3-6,8-11H,7,12-18H2,1-2H3,(H,24,28)