3-methyl-N-[(E)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-thiophen-2-ylethanoylamino)butanamide

Systemtic Name: 3-methyl-N-[(E)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-thiophen-2-ylethanoylamino)butanamide Openeye Name: 3-methyl-N-[(E)-(6-methyl-1,3-benzodioxol-5-yl)methyleneamino]-2-[[2-(2-thienyl)acetyl]amino]butanamide CAS Name: 3-methyl-N-[(E)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[(1-oxo-2-thiophen-2-ylethyl)amino]butanamide IUPAC Name: 3-methyl-N-[(E)-(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[(2-thiophen-2-ylacetyl)amino]butanamide Traditional Name: 3-methyl-N-[(E)-(6-methyl-1,3-benzodioxol-5-yl)methyleneamino]-2-[[2-(2-thienyl)acetyl]amino]butyramide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C=NNC(=O)C(C(C)C)NC(=O)CC3=CC=CS3)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1/C=N/NC(=O)C(C(C)C)NC(=O)CC3=CC=CS3)OCO2

InChI

InChI=1S/C20H23N3O4S/c1-12(2)19(22-18(24)9-15-5-4-6-28-15)20(25)23-21-10-14-8-17-16(7-13(14)3)26-11-27-17/h4-8,10,12,19H,9,11H2,1-3H3,(H,22,24)(H,23,25)/b21-10+