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

Systemtic Name: 2-[2-[(2-chloranyl-4-methyl-phenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-[(2-chloro-4-methyl-phenyl)carbamothioylamino]acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[(2-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-[(2-chloro-4-methylphenyl)carbamothioylamino]acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-[(2-chloro-4-methyl-phenyl)thiocarbamoylamino]acetyl]amino]-4-methyl-valeramide Formula: C16H23ClN4O2S MolecularWeight: 370.89742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O2S/c1-9(2)6-13(15(18)23)20-14(22)8-19-16(24)21-12-5-4-10(3)7-11(12)17/h4-5,7,9,13H,6,8H2,1-3H3,(H2,18,23)(H,20,22)(H2,19,21,24)