1-[5-(5-azanyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)pentyl]-3-phenyl-thiourea

Systemtic Name: 1-[5-(5-azanyl-1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)pentyl]-3-phenyl-thiourea Openeye Name: 1-[5-(5-amino-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)pentyl]-3-phenyl-thiourea CAS Name: 1-[5-(5-amino-1-methyl-3-oxo-2-phenyl-4-pyrazolyl)pentyl]-3-phenylthiourea IUPAC Name: 1-[5-(5-amino-1-methyl-3-oxo-2-phenylpyrazol-4-yl)pentyl]-3-phenylthiourea Traditional Name: 1-[5-(5-amino-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)pentyl]-3-phenyl-thiourea Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)CCCCCNC(=S)NC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)CCCCCNC(=S)NC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5OS/c1-26-20(23)19(21(28)27(26)18-13-7-3-8-14-18)15-9-4-10-16-24-22(29)25-17-11-5-2-6-12-17/h2-3,5-8,11-14H,4,9-10,15-16,23H2,1H3,(H2,24,25,29)