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

Systemtic Name: 1-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S/c1-3-4-7-10-17-16(24)19-18-14(22)13-11-8-5-6-9-12(11)15(23)21(2)20-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,18,22)(H2,17,19,24)