N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenoxy-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenoxy-benzamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenoxy-benzamide CAS Name: N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-phenoxybenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide Traditional Name: N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-phenoxy-benzamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S2/c1-4-29(5-2)17-18-30(27-28-25-23(33-3)15-10-16-24(25)34-27)26(31)20-11-9-14-22(19-20)32-21-12-7-6-8-13-21/h6-16,19H,4-5,17-18H2,1-3H3