1-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)-1-(2-thenyl)thiourea Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(CC1=CC=CS1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O2S2/c1-19(2)10-4-11-20(13-16-5-3-12-25-16)17(24)18-14-6-8-15(9-7-14)21(22)23/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,18,24)