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

Systemtic Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(phenylcarbamoylamino)butanamide Openeye Name: 3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-2-(phenylcarbamoylamino)butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(phenylcarbamoylamino)butanamide Traditional Name: 3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-2-(phenylcarbamoylamino)butyramide Formula: C21H23N5O2S MolecularWeight: 409.50462

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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

Isomeric SMILES

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

InChI

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