3-[3-methyl-2-[(4-methylpiperazin-1-yl)carbonylamino]butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-methyl-2-[(4-methylpiperazin-1-yl)carbonylamino]butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoyl]-2-phenyl-thiazolidine-4-carboxylic acid CAS Name: 3-[3-methyl-2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-1-oxobutyl]-2-phenyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-methyl-2-[(4-methylpiperazine-1-carbonyl)amino]butanoyl]-2-phenyl-thiazolidine-4-carboxylic acid Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CSC1C2=CC=CC=C2)C(=O)O)NC(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C)C(C(=O)N1C(CSC1C2=CC=CC=C2)C(=O)O)NC(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H30N4O4S/c1-14(2)17(22-21(29)24-11-9-23(3)10-12-24)18(26)25-16(20(27)28)13-30-19(25)15-7-5-4-6-8-15/h4-8,14,16-17,19H,9-13H2,1-3H3,(H,22,29)(H,27,28)