N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC(=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCN1C2=CC(=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H24N2O3S2/c1-4-11-23-18-14-15(2)13-16(3)20(18)27-21(23)22-19(24)10-12-28(25,26)17-8-6-5-7-9-17/h5-9,13-14H,4,10-12H2,1-3H3