1-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]-3-isoamyl-thiourea Formula: C16H25N3OS2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C16H25N3OS2/c1-11(2)7-8-17-16(21)19-18-15(20)10-22-14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,20)(H2,17,19,21)