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

Systemtic Name: N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: N-(3-allyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-(benzenesulfonyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-besyl-butyramide Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C21H22N2O4S2/c1-3-13-23-18-12-11-16(27-2)15-19(18)28-21(23)22-20(24)10-7-14-29(25,26)17-8-5-4-6-9-17/h3-6,8-9,11-12,15H,1,7,10,13-14H2,2H3