N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-benzylsulfonyl-N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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