N-(6-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C)Cl

InChI

InChI=1S/C19H19ClN2O3S2/c1-13-10-15(20)11-16-18(13)22(2)19(26-16)21-17(23)8-9-27(24,25)12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3