3-methyl-2-[(2-methylphenyl)carbamoylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 3-methyl-2-[(2-methylphenyl)carbamoylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 3-methyl-2-(o-tolylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 3-methyl-2-[[(2-methylanilino)-oxomethyl]amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 3-methyl-2-[(2-methylphenyl)carbamoylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 3-methyl-2-(o-tolylcarbamoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC(C(C)C)C(=O)NC2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC(C(C)C)C(=O)NC2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-13(2)17(23-20(28)22-16-12-8-7-9-14(16)3)18(27)24-21-26-25-19(29-21)15-10-5-4-6-11-15/h4-13,17H,1-3H3,(H2,22,23,28)(H,24,26,27)