N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-(3-allyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-benzylsulfonyl-propanamide CAS Name: N-[6-(methylthio)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: N-[3-allyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-3-benzylsulfonyl-propionamide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C21H22N2O3S3/c1-3-12-23-18-10-9-17(27-2)14-19(18)28-21(23)22-20(24)11-13-29(25,26)15-16-7-5-4-6-8-16/h3-10,14H,1,11-13,15H2,2H3