1-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]thiourea Formula: C16H25N3OS2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CSC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CSC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C16H25N3OS2/c1-4-5-6-9-17-16(21)19-18-15(20)11-22-14-8-7-12(2)13(3)10-14/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,20)(H2,17,19,21)