1-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]ethanoylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]ethanoylamino]-3-phenethyl-thiourea Openeye Name: 1-[[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetyl]amino]-3-phenethyl-thiourea CAS Name: 1-[[1-oxo-2-[(2,3,4,5,6-pentamethylphenyl)methylthio]ethyl]amino]-3-phenethylthiourea IUPAC Name: 1-[[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetyl]amino]-3-phenethylthiourea Traditional Name: 1-[[2-[(2,3,4,5,6-pentamethylbenzyl)thio]acetyl]amino]-3-phenethyl-thiourea Formula: C23H31N3OS2 MolecularWeight: 429.64174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSCC(=O)NNC(=S)NCCC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSCC(=O)NNC(=S)NCCC2=CC=CC=C2)C)C

InChI

InChI=1S/C23H31N3OS2/c1-15-16(2)18(4)21(19(5)17(15)3)13-29-14-22(27)25-26-23(28)24-12-11-20-9-7-6-8-10-20/h6-10H,11-14H2,1-5H3,(H,25,27)(H2,24,26,28)