N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-4-15-7-6-8-18-20(15)23(5-2)21(28-18)22-19(24)13-14-29(25,26)17-11-9-16(27-3)10-12-17/h6-12H,4-5,13-14H2,1-3H3