3-[[5-(3-cyano-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethyl-propanamide

Systemtic Name: 3-[[5-(3-cyano-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethyl-propanamide Openeye Name: 3-[[5-(3-cyano-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]-N,N-dimethyl-propanamide CAS Name: 3-[[[[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]-N,N-dimethylpropanamide IUPAC Name: 3-[[5-(3-cyano-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N,N-dimethylpropanamide Traditional Name: 3-[[5-(3-cyano-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]-N,N-dimethyl-propionamide Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCCC(=O)N(C)C)C2=CC(=C(C=C2)S(=O)(=O)C)C#N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCCC(=O)N(C)C)C2=CC(=C(C=C2)S(=O)(=O)C)C#N

InChI

InChI=1S/C18H21N5O4S2/c1-11-16(12-5-6-14(29(4,26)27)13(9-12)10-19)28-18(21-11)22-17(25)20-8-7-15(24)23(2)3/h5-6,9H,7-8H2,1-4H3,(H2,20,21,22,25)