1-(2-morpholin-4-ylethyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea

Systemtic Name: 1-(2-morpholin-4-ylethyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea Openeye Name: 1-(2-morpholinoethyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea IUPAC Name: 1-(2-morpholin-4-ylethyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea Traditional Name: 1-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-3-(2-morpholinoethyl)thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCCN1CCNC(=S)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2S/c27-20-18-7-2-1-6-17(18)19(24-25-20)15-4-3-5-16(14-15)23-21(29)22-8-9-26-10-12-28-13-11-26/h1-7,14H,8-13H2,(H,25,27)(H2,22,23,29)