N-(3-aminophenyl)-2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]propanamide

Systemtic Name: N-(3-aminophenyl)-2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]propanamide Openeye Name: N-(3-aminophenyl)-2-[(1,1-dioxothiolan-3-yl)-methyl-amino]propanamide CAS Name: N-(3-aminophenyl)-2-[(1,1-dioxo-3-thiolanyl)-methylamino]propanamide IUPAC Name: N-(3-aminophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide Traditional Name: N-(3-aminophenyl)-2-[(1,1-diketothiolan-3-yl)-methyl-amino]propionamide Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)N)N(C)C2CCS(=O)(=O)C2

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)N)N(C)C2CCS(=O)(=O)C2

InChI

InChI=1S/C14H21N3O3S/c1-10(17(2)13-6-7-21(19,20)9-13)14(18)16-12-5-3-4-11(15)8-12/h3-5,8,10,13H,6-7,9,15H2,1-2H3,(H,16,18)