N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O4S3 MolecularWeight: 463.59344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S3/c24-19(14-28-13-15-4-2-1-3-5-15)22-20-21-17-7-6-16(12-18(17)29-20)30(25,26)23-8-10-27-11-9-23/h1-7,12H,8-11,13-14H2,(H,21,22,24)