2-[2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide

Systemtic Name: 2-[2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[(4-butyl-2-methylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-[(4-butyl-2-methylphenyl)carbamothioylamino]acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-[(4-butyl-2-methyl-phenyl)thiocarbamoylamino]acetyl]amino]-4-methyl-valeramide Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCC(=O)NC(CC(C)C)C(=O)N)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCC(=O)NC(CC(C)C)C(=O)N)C

InChI

InChI=1S/C20H32N4O2S/c1-5-6-7-15-8-9-16(14(4)11-15)24-20(27)22-12-18(25)23-17(19(21)26)10-13(2)3/h8-9,11,13,17H,5-7,10,12H2,1-4H3,(H2,21,26)(H,23,25)(H2,22,24,27)