4-methyl-2-[2-[(2,4,5-trimethylphenyl)carbamothioylamino]ethanoylamino]pentanamide

Systemtic Name: 4-methyl-2-[2-[(2,4,5-trimethylphenyl)carbamothioylamino]ethanoylamino]pentanamide Openeye Name: 4-methyl-2-[[2-[(2,4,5-trimethylphenyl)carbamothioylamino]acetyl]amino]pentanamide CAS Name: 4-methyl-2-[[1-oxo-2-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]ethyl]amino]pentanamide IUPAC Name: 4-methyl-2-[[2-[(2,4,5-trimethylphenyl)carbamothioylamino]acetyl]amino]pentanamide Traditional Name: 4-methyl-2-[[2-[(2,4,5-trimethylphenyl)thiocarbamoylamino]acetyl]amino]valeramide Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)NCC(=O)NC(CC(C)C)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)NCC(=O)NC(CC(C)C)C(=O)N)C

InChI

InChI=1S/C18H28N4O2S/c1-10(2)6-15(17(19)24)21-16(23)9-20-18(25)22-14-8-12(4)11(3)7-13(14)5/h7-8,10,15H,6,9H2,1-5H3,(H2,19,24)(H,21,23)(H2,20,22,25)