3-(phenylmethyl)sulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide

Systemtic Name: 3-(phenylmethyl)sulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: 3-benzylsulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(phenylmethyl)sulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-benzylsulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2C)C

InChI

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