N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-4-15-7-5-8-18-20(15)23(2)21(28-18)22-19(24)9-6-14-29(25,26)17-12-10-16(27-3)11-13-17/h5,7-8,10-13H,4,6,9,14H2,1-3H3