1-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(C)C

InChI

InChI=1S/C19H27N5O2S/c1-4-5-8-11-20-19(27)22-21-17(25)16-14-9-6-7-10-15(14)18(26)24(23-16)12-13(2)3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,21,25)(H2,20,22,27)