N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H21BrN2O3S2 MolecularWeight: 481.42634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O3S2/c1-2-23-19-16(21)10-6-11-17(19)27-20(23)22-18(24)12-7-13-28(25,26)14-15-8-4-3-5-9-15/h3-6,8-11H,2,7,12-14H2,1H3