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

Systemtic Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]amino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)NC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)NC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N6O2S/c1-13(2)17(24-20(29)23-16-10-6-7-14(11-16)12-22)18(28)25-21-27-26-19(30-21)15-8-4-3-5-9-15/h3-11,13,17H,1-2H3,(H2,23,24,29)(H,25,27,28)