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methyl 4-[2-diethylaminoethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

methyl 4-[2-diethylaminoethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name:methyl 4-[2-diethylaminoethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Openeye Name:methyl 4-[2-diethylaminoethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CAS Name:4-[[2-diethylaminoethyl-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[2-diethylaminoethyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Traditional Name:4-[2-diethylaminoethyl-[4-(methylthio)-1,3-benzothiazol-2-yl]carbamoyl]benzoic acid methyl ester
Formula: C23H27N3O3S2
MolecularWeight: 457.60878
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=C(C=C3)C(=O)OC


Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=C(C=C3)C(=O)OC


InChI

InChI=1S/C23H27N3O3S2/c1-5-25(6-2)14-15-26(21(27)16-10-12-17(13-11-16)22(28)29-3)23-24-20-18(30-4)8-7-9-19(20)31-23/h7-13H,5-6,14-15H2,1-4H3


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