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

Systemtic Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-3-16-11-8-12-17-19(16)22(4-2)20(26-17)21-18(23)14-27(24,25)13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3