1-(4-tert-butylphenyl)-3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]thiourea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]thiourea CAS Name: 1-(4-tert-butylphenyl)-3-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]thiourea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]thiourea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]thiourea Formula: C21H31N3OS2 MolecularWeight: 405.62034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C21H31N3OS2/c1-21(2,3)16-6-8-17(9-7-16)23-20(26)22-12-13-27-15-19-11-10-18(25-19)14-24(4)5/h6-11H,12-15H2,1-5H3,(H2,22,23,26)