1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-(2-piperidin-1-ylethyl)thiourea

Systemtic Name: 1-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-3-(2-piperidin-1-ylethyl)thiourea Openeye Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[2-(1-piperidyl)ethyl]thiourea CAS Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-(2-piperidin-1-ylethyl)thiourea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(2-piperidinoethyl)thiourea Formula: C19H28N6OS MolecularWeight: 388.53022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCN(CC1)CCNC(=S)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H28N6OS/c26-18-16-8-3-2-7-15(16)17(23-24-18)20-9-6-10-21-19(27)22-11-14-25-12-4-1-5-13-25/h2-3,7-8H,1,4-6,9-14H2,(H,20,23)(H,24,26)(H2,21,22,27)