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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCC4=CC5=C(C=C4)OCO5)C

InChI

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