N-(1,3-benzodioxol-5-ylcarbamoyl)-3-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(4-methyl-2-quinolyl)thio]propionamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O4S/c1-13-10-20(23-16-5-3-2-4-15(13)16)29-9-8-19(25)24-21(26)22-14-6-7-17-18(11-14)28-12-27-17/h2-7,10-11H,8-9,12H2,1H3,(H2,22,24,25,26)