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

Systemtic Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]amino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H22N6O2S/c1-13(2)18(25-21(30)24-17-9-5-7-15(11-17)12-23)19(29)26-22-28-27-20(31-22)16-8-4-6-14(3)10-16/h4-11,13,18H,1-3H3,(H2,24,25,30)(H,26,28,29)