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

Systemtic Name: 2-[(3-bromophenyl)carbamoylamino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: 2-[(3-bromophenyl)carbamoylamino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: 2-[[(3-bromoanilino)-oxomethyl]amino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: 2-[(3-bromophenyl)carbamoylamino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-[(3-bromophenyl)carbamoylamino]-N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C23H27BrN6O2S MolecularWeight: 531.46848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN6O2S/c1-5-14(2)19(26-22(32)25-17-8-6-7-16(24)13-17)20(31)27-23-29-28-21(33-23)15-9-11-18(12-10-15)30(3)4/h6-14,19H,5H2,1-4H3,(H2,25,26,32)(H,27,29,31)