1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-propyl-thiourea

Systemtic Name: 1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-propyl-thiourea Openeye Name: 1-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]-3-propyl-thiourea CAS Name: 1-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-propylthiourea IUPAC Name: 1-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]-3-propylthiourea Traditional Name: 1-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]-3-propyl-thiourea Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-4-10-19-18(26)21-20-16(24)15-13-7-5-6-8-14(13)17(25)23(22-15)11-9-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,20,24)(H2,19,21,26)