N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CC

InChI

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