2-[2-[(3,4-dimethylphenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-[(3,4-dimethylphenyl)carbamothioylamino]acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-[(3,4-dimethylphenyl)carbamothioylamino]acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-[(3,4-dimethylphenyl)thiocarbamoylamino]acetyl]amino]-4-methyl-valeramide Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(=O)NC(CC(C)C)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC(=O)NC(CC(C)C)C(=O)N)C

InChI

InChI=1S/C17H26N4O2S/c1-10(2)7-14(16(18)23)21-15(22)9-19-17(24)20-13-6-5-11(3)12(4)8-13/h5-6,8,10,14H,7,9H2,1-4H3,(H2,18,23)(H,21,22)(H2,19,20,24)