1,3-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3-dimethyl-thiourea

Systemtic Name: 1,3-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3-dimethyl-thiourea Openeye Name: 1,3-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3-dimethyl-thiourea CAS Name: 1,3-bis[4-[(dodecylthio)methyl]phenyl]-1,3-dimethylthiourea IUPAC Name: 1,3-bis[4-(dodecylsulfanylmethyl)phenyl]-1,3-dimethylthiourea Traditional Name: 1,3-bis[4-[(laurylthio)methyl]phenyl]-1,3-dimethyl-thiourea Formula: C41H68N2S3 MolecularWeight: 685.18702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=CC=C(C=C1)N(C)C(=S)N(C)C2=CC=C(C=C2)CSCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSCC1=CC=C(C=C1)N(C)C(=S)N(C)C2=CC=C(C=C2)CSCCCCCCCCCCCC

InChI

InChI=1S/C41H68N2S3/c1-5-7-9-11-13-15-17-19-21-23-33-45-35-37-25-29-39(30-26-37)42(3)41(44)43(4)40-31-27-38(28-32-40)36-46-34-24-22-20-18-16-14-12-10-8-6-2/h25-32H,5-24,33-36H2,1-4H3