3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]-N-phenethyl-pentanamide

Systemtic Name: 3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]-N-phenethyl-pentanamide Openeye Name: 3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]-N-phenethyl-pentanamide CAS Name: 3-methyl-2-[[[4-(methylthio)anilino]-oxomethyl]amino]-N-phenethylpentanamide IUPAC Name: 3-methyl-2-[(4-methylsulfanylphenyl)carbamoylamino]-N-phenethylpentanamide Traditional Name: 3-methyl-2-[[4-(methylthio)phenyl]carbamoylamino]-N-phenethyl-valeramide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C22H29N3O2S/c1-4-16(2)20(21(26)23-15-14-17-8-6-5-7-9-17)25-22(27)24-18-10-12-19(28-3)13-11-18/h5-13,16,20H,4,14-15H2,1-3H3,(H,23,26)(H2,24,25,27)