3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N,N-diethyl-benzamide CAS Name: 3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N,N-diethylbenzamide Traditional Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]-N,N-diethyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S/c1-3-24(4-2)21(26)15-8-7-9-16(14-15)22-19(25)12-13-20-23-17-10-5-6-11-18(17)27-20/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)