2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-prop-2-ynyl-butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-prop-2-ynyl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-prop-2-ynyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-prop-2-ynylbutanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-prop-2-ynylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-propargyl-butyramide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC#C)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)C(C(=O)NCC#C)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H17N3O3S/c1-4-9-16-15(19)13(10(2)3)17-14-11-7-5-6-8-12(11)22(20,21)18-14/h1,5-8,10,13H,9H2,2-3H3,(H,16,19)(H,17,18)