1-(4-butylphenyl)-3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[3-(methylsulfanylmethyl)benzoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[3-(methylsulfanylmethyl)benzoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[3-[(methylthio)methyl]benzoyl]amino]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)C2=CC(=CC=C2)CSC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS2/c1-3-4-6-15-9-11-18(12-10-15)21-20(25)23-22-19(24)17-8-5-7-16(13-17)14-26-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,22,24)(H2,21,23,25)