N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2C

InChI

InChI=1S/C20H22N2O3S2/c1-3-16-10-7-11-17-19(16)22(2)20(26-17)21-18(23)12-13-27(24,25)14-15-8-5-4-6-9-15/h4-11H,3,12-14H2,1-2H3