2-[(4-methyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid; 2-phenyl-1-(1,3-thiazol-5-yl)ethanamine

Systemtic Name: 2-[(4-methyl-2-phenyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid; 2-phenyl-1-(1,3-thiazol-5-yl)ethanamine Openeye Name: 2-[(4-methyl-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoic acid; 2-phenyl-1-thiazol-5-yl-ethanamine CAS Name: 2-[[(4-methyl-2-phenylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid; 2-phenyl-1-(5-thiazolyl)ethanamine IUPAC Name: 2-[(4-methyl-2-phenylbenzoyl)amino]-4-methylsulfanylbutanoic acid; 2-phenyl-1-(1,3-thiazol-5-yl)ethanamine Traditional Name: 2-[(4-methyl-2-phenyl-benzoyl)amino]-4-(methylthio)butyric acid; (2-phenyl-1-thiazol-5-yl-ethyl)amine Formula: C30H33N3O3S2 MolecularWeight: 547.73132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2.C1=CC=C(C=C1)CC(C2=CN=CS2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2.C1=CC=C(C=C1)CC(C2=CN=CS2)N

InChI

InChI=1S/C19H21NO3S.C11H12N2S/c1-13-8-9-15(16(12-13)14-6-4-3-5-7-14)18(21)20-17(19(22)23)10-11-24-2;12-10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h3-9,12,17H,10-11H2,1-2H3,(H,20,21)(H,22,23);1-5,7-8,10H,6,12H2