4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-2-chloranyl-N,N-diethyl-benzamide

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-2-chloranyl-N,N-diethyl-benzamide Openeye Name: 4-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-2-chloro-N,N-diethyl-benzamide CAS Name: 4-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-2-chloro-N,N-diethylbenzamide IUPAC Name: 4-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-2-chloro-N,N-diethyl-benzamide Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H22ClN3O2S2/c1-3-25(4-2)21(27)15-10-9-14(11-16(15)22)23-19(26)12-28-13-20-24-17-7-5-6-8-18(17)29-20/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)