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

Systemtic Name: 2-[(2-bromophenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 2-[(2-bromophenyl)carbamoylamino]-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 2-[[(2-bromoanilino)-oxomethyl]amino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 2-[(2-bromophenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 2-[(2-bromophenyl)carbamoylamino]-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]butyramide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(C(C)C)NC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN5O2S/c1-12(2)17(24-20(29)23-16-7-5-4-6-15(16)22)18(28)25-21-27-26-19(30-21)14-10-8-13(3)9-11-14/h4-12,17H,1-3H3,(H2,23,24,29)(H,25,27,28)