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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCSCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCSCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C21H31N3OS2/c1-4-5-6-17-7-9-18(10-8-17)23-21(26)22-13-14-27-16-20-12-11-19(25-20)15-24(2)3/h7-12H,4-6,13-16H2,1-3H3,(H2,22,23,26)