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

Systemtic Name: 4-morpholin-4-ylsulfonyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide hydrochloride Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholinosulfonyl-benzamide hydrochloride CAS Name: 4-(4-morpholinylsulfonyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide hydrochloride IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide hydrochloride Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-morpholinosulfonyl-benzamide hydrochloride Formula: C20H21ClN4O4S3 MolecularWeight: 513.05314

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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=CC=C4.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S3.ClH/c25-18(21-19-22-23-20(30-19)29-14-15-4-2-1-3-5-15)16-6-8-17(9-7-16)31(26,27)24-10-12-28-13-11-24;/h1-9H,10-14H2,(H,21,22,25);1H