1-(2-dimethylaminoethyl)-3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C16H22N6O2S MolecularWeight: 362.44988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCN(C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCN(C)C

InChI

InChI=1S/C16H22N6O2S/c1-4-22-15(24)12-8-6-5-7-11(12)13(20-22)14(23)18-19-16(25)17-9-10-21(2)3/h5-8H,4,9-10H2,1-3H3,(H,18,23)(H2,17,19,25)