4-(phenylmethyl)sulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-benzylsulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(phenylmethyl)sulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-benzylsulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-benzylsulfonyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-15-12-16(2)20-18(13-15)27-21(23(20)3)22-19(24)10-7-11-28(25,26)14-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3