(2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-phenyl-propanamide Openeye Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenyl-propanamide CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenylpropanamide IUPAC Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-phenylpropanamide Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-phenyl-propionamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H15N3O3S/c17-15(20)13(10-11-6-2-1-3-7-11)18-16-12-8-4-5-9-14(12)23(21,22)19-16/h1-9,13H,10H2,(H2,17,20)(H,18,19)/t13-/m0/s1