N-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H20BrN5O4S3 MolecularWeight: 582.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN5O4S3/c22-15-5-7-16(8-6-15)23-18(28)13-32-21-26-25-20(33-21)24-19(29)14-3-9-17(10-4-14)34(30,31)27-11-1-2-12-27/h3-10H,1-2,11-13H2,(H,23,28)(H,24,25,29)