1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-nitrophenyl)-1-propyl-thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-nitrophenyl)-1-propyl-thiourea Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-nitrophenyl)-1-propyl-thiourea CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-3-(4-nitrophenyl)-1-propylthiourea IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-nitrophenyl)-1-propylthiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-3-(4-nitrophenyl)-1-propyl-thiourea Formula: C14H19N3O4S2 MolecularWeight: 357.44836

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S2/c1-2-8-16(13-7-9-23(20,21)10-13)14(22)15-11-3-5-12(6-4-11)17(18)19/h3-6,13H,2,7-10H2,1H3,(H,15,22)/t13-/m0/s1