1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-phenethyl-thiourea

Systemtic Name: 1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-phenethyl-thiourea Openeye Name: 1-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-phenethyl-thiourea CAS Name: 1-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3-phenethylthiourea IUPAC Name: 1-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3-phenethylthiourea Traditional Name: 1-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-phenethyl-thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-14(2)26-20(28)17-11-7-6-10-16(17)18(25-26)19(27)23-24-21(29)22-13-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H2,22,24,29)