1-[(4-tert-butylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea Formula: C27H47N3OS MolecularWeight: 461.74658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C27H47N3OS/c1-6-8-9-11-25(7-2)28-26(32)30(17-10-16-29-18-20-31-21-19-29)22-23-12-14-24(15-13-23)27(3,4)5/h12-15,25H,6-11,16-22H2,1-5H3,(H,28,32)