1-(acridin-9-ylmethyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(acridin-9-ylmethyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(acridin-9-ylmethyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(9-acridinylmethyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(acridin-9-ylmethyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(acridin-9-ylmethyl)-3-(4-nitrophenyl)thiourea Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2S/c26-25(27)15-11-9-14(10-12-15)23-21(28)22-13-18-16-5-1-3-7-19(16)24-20-8-4-2-6-17(18)20/h1-12H,13H2,(H2,22,23,28)