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

Systemtic Name: 1-(4-butylphenyl)-3-(2-methylsulfanylethanoylamino)thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-methylsulfanylacetyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-(methylthio)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-methylsulfanylacetyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(methylthio)acetyl]amino]thiourea Formula: C14H21N3OS2 MolecularWeight: 311.46604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS2/c1-3-4-5-11-6-8-12(9-7-11)15-14(19)17-16-13(18)10-20-2/h6-9H,3-5,10H2,1-2H3,(H,16,18)(H2,15,17,19)