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

Systemtic Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-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=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C

InChI

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