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

Systemtic Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]-N-butan-2-yl-heptanamide Openeye Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxo-propyl]-N-sec-butyl-heptanamide CAS Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-butan-2-ylheptanamide IUPAC Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-butan-2-ylheptanamide Traditional Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-keto-propyl]-N-sec-butyl-enanthamide Formula: C22H31BrN4O2S MolecularWeight: 495.47614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N(CCC(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)C(C)CC

Isomeric SMILES

CCCCCCC(=O)N(CCC(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)C(C)CC

InChI

InChI=1S/C22H31BrN4O2S/c1-4-6-7-8-9-20(29)27(16(3)5-2)15-14-19(28)24-22-26-25-21(30-22)17-10-12-18(23)13-11-17/h10-13,16H,4-9,14-15H2,1-3H3,(H,24,26,28)