N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide Openeye Name: 3-isopropylsulfonyl-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-[6-(methylthio)-3-propyl-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide Traditional Name: 3-isopropylsulfonyl-N-[6-(methylthio)-3-propyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H24N2O3S3/c1-5-11-23-18-10-9-16(27-4)13-19(18)28-21(23)22-20(24)15-7-6-8-17(12-15)29(25,26)14(2)3/h6-10,12-14H,5,11H2,1-4H3