4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-N-(1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-N-thiazol-2-yl-benzamide CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-methyl-N-(2-thiazolyl)benzamide IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-methyl-N-thiazol-2-yl-benzamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC=CS2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC=CS2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

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