N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide CAS Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide Traditional Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)N2C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)N2C

InChI

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