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

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c1-3-4-8-17-11-12-19-20(15-17)28-22(24(19)2)23-21(25)13-14-29(26,27)16-18-9-6-5-7-10-18/h5-7,9-12,15H,3-4,8,13-14,16H2,1-2H3