N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide

Systemtic Name: N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide Openeye Name: N-(3-ethyl-6-isopropyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide IUPAC Name: N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide Traditional Name: N-(3-ethyl-6-isopropyl-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O3S2/c1-5-22-17-10-9-14(13(2)3)12-18(17)26-20(22)21-19(23)15-7-6-8-16(11-15)27(4,24)25/h6-13H,5H2,1-4H3