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

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-4-isopropylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide Traditional Name: N-(2-diethylaminoethyl)-4-isopropylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C24H31N3O3S3 MolecularWeight: 505.71624

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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)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S3/c1-6-26(7-2)15-16-27(24-25-22-20(31-5)9-8-10-21(22)32-24)23(28)18-11-13-19(14-12-18)33(29,30)17(3)4/h8-14,17H,6-7,15-16H2,1-5H3