N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-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=C(C=C2)Br)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

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