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

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-[3-(dimethylamino)propyl]thiourea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-[3-(dimethylamino)propyl]thiourea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-[3-(dimethylamino)propyl]thiourea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-[3-(dimethylamino)propyl]thiourea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-[3-(dimethylamino)propyl]thiourea Formula: C19H28N6O2S MolecularWeight: 404.52962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCN(C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCCN(C)C

InChI

InChI=1S/C19H28N6O2S/c1-4-5-13-25-18(27)15-10-7-6-9-14(15)16(23-25)17(26)21-22-19(28)20-11-8-12-24(2)3/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,21,26)(H2,20,22,28)