N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(7-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=C2C(=C(C=C1)Cl)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2C

InChI

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