4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-N,N-diethyl-benzamide

Systemtic Name: 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-N,N-diethyl-benzamide Openeye Name: 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-2-chloro-N,N-diethyl-benzamide CAS Name: 4-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-2-chloro-N,N-diethylbenzamide IUPAC Name: 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide Traditional Name: 4-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-2-chloro-N,N-diethyl-benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-3-24(4-2)19(26)14-10-9-13(11-15(14)21)22-18(25)12-28-20-23-16-7-5-6-8-17(16)27-20/h5-11H,3-4,12H2,1-2H3,(H,22,25)