N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(2-phenylethynyl)-N-propyl-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(2-phenylethynyl)-N-propyl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-phenylethynyl)-N-propyl-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-(2-phenylethynyl)-N-propylbenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-phenylethynyl)-N-propylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-4-(2-phenylethynyl)-N-propyl-benzamide Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-2-15-23(21-14-16-27(25,26)17-21)22(24)20-12-10-19(11-13-20)9-8-18-6-4-3-5-7-18/h3-7,10-13,21H,2,14-17H2,1H3/t21-/m0/s1