1-(4-butylphenyl)-3-(2-methylsulfanylphenyl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(2-methylsulfanylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(2-methylsulfanylphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[2-(methylthio)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2-methylsulfanylphenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-(methylthio)phenyl]thiourea Formula: C18H22N2S2 MolecularWeight: 330.51068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H22N2S2/c1-3-4-7-14-10-12-15(13-11-14)19-18(21)20-16-8-5-6-9-17(16)22-2/h5-6,8-13H,3-4,7H2,1-2H3,(H2,19,20,21)