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

Systemtic Name: 1-(4-butylphenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(4-butylphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-(4-butylphenyl)thiourea Formula: C20H25N3OS2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3OS2/c1-2-3-7-16-10-12-18(13-11-16)21-20(25)23-22-19(24)15-26-14-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,22,24)(H2,21,23,25)