N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-benzamide Openeye Name: N-(2-diethylaminoethyl)-3-isopropylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylthio)benzamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide Traditional Name: N-(2-diethylaminoethyl)-3-(isopropylthio)-N-(6-mesyl-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=C(C=C2)S(=O)(=O)C)C(=O)C3=CC(=CC=C3)SC(C)C

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC(=CC=C3)SC(C)C

InChI

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