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

Systemtic Name: N-[4,7-bis(chloranyl)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(3-allyl-4,7-dichloro-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4,7-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(4,7-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(3-allyl-4,7-dichloro-1,3-benzothiazol-2-ylidene)-4-tosyl-butyramide Formula: C21H20Cl2N2O3S2 MolecularWeight: 483.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC=C

InChI

InChI=1S/C21H20Cl2N2O3S2/c1-3-12-25-19-16(22)10-11-17(23)20(19)29-21(25)24-18(26)5-4-13-30(27,28)15-8-6-14(2)7-9-15/h3,6-11H,1,4-5,12-13H2,2H3