1-(4-butylphenyl)-3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(o-tolylmethylsulfanyl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-[(2-methylbenzyl)thio]acetyl]amino]thiourea Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2C

InChI

InChI=1S/C21H27N3OS2/c1-3-4-8-17-10-12-19(13-11-17)22-21(26)24-23-20(25)15-27-14-18-9-6-5-7-16(18)2/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,23,25)(H2,22,24,26)