N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,7-dichloro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H18Cl2N2O3S2 MolecularWeight: 481.41522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)Cl)Cl

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3S2/c1-2-12-25-19-16(22)10-11-17(23)20(19)29-21(25)24-18(26)9-6-13-30(27,28)14-15-7-4-3-5-8-15/h1,3-5,7-8,10-11H,6,9,12-14H2