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

Systemtic Name: 1-(3-methoxyphenyl)-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-3-(3-methoxyphenyl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N5O3S/c1-3-11-25-19(27)16-10-5-4-9-15(16)17(24-25)18(26)22-23-20(29)21-13-7-6-8-14(12-13)28-2/h4-10,12H,3,11H2,1-2H3,(H,22,26)(H2,21,23,29)