1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(2,6-dimethylphenyl)-1-(3-morpholinopropyl)thiourea Formula: C27H39N3OS MolecularWeight: 453.68306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3OS/c1-21-8-6-9-22(2)25(21)28-26(32)30(15-7-14-29-16-18-31-19-17-29)20-23-10-12-24(13-11-23)27(3,4)5/h6,8-13H,7,14-20H2,1-5H3,(H,28,32)