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

Systemtic Name: 1-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-4-9-17-16(24)19-18-14(22)13-11-7-5-6-8-12(11)15(23)21(20-13)10(2)3/h4-8,10H,1,9H2,2-3H3,(H,18,22)(H2,17,19,24)