3-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)propionamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O3S/c1-2-17-7-11-19(12-8-17)27(25-26-20-5-3-4-6-23(20)31-25)24(28)14-10-18-9-13-21-22(15-18)30-16-29-21/h3-9,11-13,15H,2,10,14,16H2,1H3