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

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-(3-allyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-3-isopropylsulfonyl-benzamide CAS Name: N-[6-(methylthio)-3-prop-2-enyl-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(6-methylsulfanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide Traditional Name: N-[3-allyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-3-isopropylsulfonyl-benzamide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC=C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC=C

InChI

InChI=1S/C21H22N2O3S3/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/h5-10,12-14H,1,11H2,2-4H3