1-(4-nitrophenyl)-3-(2-quinolin-8-ylsulfanylethanoylamino)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(2-quinolin-8-ylsulfanylethanoylamino)thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[2-(8-quinolylsulfanyl)acetyl]amino]thiourea CAS Name: 1-(4-nitrophenyl)-3-[[1-oxo-2-(8-quinolinylthio)ethyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[[2-(8-quinolylthio)acetyl]amino]thiourea Formula: C18H15N5O3S2 MolecularWeight: 413.4734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C18H15N5O3S2/c24-16(11-28-15-5-1-3-12-4-2-10-19-17(12)15)21-22-18(27)20-13-6-8-14(9-7-13)23(25)26/h1-10H,11H2,(H,21,24)(H2,20,22,27)