N-(6-bromanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-bromanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-4-(benzenesulfonyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-4-besyl-butyramide Formula: C20H19BrN2O3S2 MolecularWeight: 479.41046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S2/c1-2-12-23-17-11-10-15(21)14-18(17)27-20(23)22-19(24)9-6-13-28(25,26)16-7-4-3-5-8-16/h2-5,7-8,10-11,14H,1,6,9,12-13H2