N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-besyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)butyramide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S2/c1-19-15-16-20(2)25-24(19)27-26(32-25)28(18-21-10-5-3-6-11-21)23(29)14-9-17-33(30,31)22-12-7-4-8-13-22/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3