N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C23H28N2O3S2 MolecularWeight: 444.61002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)C

InChI

InChI=1S/C23H28N2O3S2/c1-3-4-9-18-13-14-20-21(16-18)29-23(25(20)2)24-22(26)12-8-15-30(27,28)17-19-10-6-5-7-11-19/h5-7,10-11,13-14,16H,3-4,8-9,12,15,17H2,1-2H3