N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]-N-butan-2-yl-4-pentyl-benzamide

Systemtic Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]-N-butan-2-yl-4-pentyl-benzamide Openeye Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxo-propyl]-4-pentyl-N-sec-butyl-benzamide CAS Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-butan-2-yl-4-pentylbenzamide IUPAC Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-butan-2-yl-4-pentylbenzamide Traditional Name: 4-amyl-N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-keto-propyl]-N-sec-butyl-benzamide Formula: C27H33BrN4O2S MolecularWeight: 557.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br)C(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br)C(C)CC

InChI

InChI=1S/C27H33BrN4O2S/c1-4-6-7-8-20-9-11-22(12-10-20)26(34)32(19(3)5-2)18-17-24(33)29-27-31-30-25(35-27)21-13-15-23(28)16-14-21/h9-16,19H,4-8,17-18H2,1-3H3,(H,29,31,33)