N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-3,5-dimethoxy-benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-12(2)18(20(26)24-21-22-16-7-5-6-8-17(16)29-21)23-19(25)13-9-14(27-3)11-15(10-13)28-4/h5-12,18H,1-4H3,(H,23,25)(H,22,24,26)/t18-/m0/s1