N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-morpholinosulfonyl-benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-morpholinosulfonyl-benzamide Formula: C20H19BrN4O4S3 MolecularWeight: 555.48826

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H19BrN4O4S3/c21-16-5-1-14(2-6-16)13-30-20-24-23-19(31-20)22-18(26)15-3-7-17(8-4-15)32(27,28)25-9-11-29-12-10-25/h1-8H,9-13H2,(H,22,23,26)