1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-dimethylaminoethyl)thiourea

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-dimethylaminoethyl)thiourea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-dimethylaminoethyl)thiourea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-(2-dimethylaminoethyl)thiourea Formula: C18H26N6O2S MolecularWeight: 390.50304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O2S/c1-4-5-11-24-17(26)14-9-7-6-8-13(14)15(22-24)16(25)20-21-18(27)19-10-12-23(2)3/h6-9H,4-5,10-12H2,1-3H3,(H,20,25)(H2,19,21,27)