N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-tosyl-butyramide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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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)C)N2CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)N2CC

InChI

InChI=1S/C22H26N2O3S2/c1-4-17-8-6-9-19-21(17)24(5-2)22(28-19)23-20(25)10-7-15-29(26,27)18-13-11-16(3)12-14-18/h6,8-9,11-14H,4-5,7,10,15H2,1-3H3