N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-15(2)16-11-12-18-19(14-16)27-21(23(18)3)22-20(24)10-7-13-28(25,26)17-8-5-4-6-9-17/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3