N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(benzenesulfonyl)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-besyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)S2)C

InChI

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